I prepared some heterocyclic organic molecules (derivatives of 1,3- oxazepine -4,7-dione and 1,5-dione) in my Ph.D program and I wrote a literature review about my project, but I need to be sure about these products.
If you have library then go through reference books likes....
1. Chemical Abstracts & its latest supplementary
2. Organic Syntheses, Collective Volumes
Otherwise go through online free or payable search engine:
Generally many university or college, R&D centre and industries have online free or payable data base search engine likes
Google, Google (Scholar), yahoo, : Online free
All Journals web sites, : Online free or payable
Patents (USP, EP, WO....),: Online free
Organic Syntheses Website: ,: Online free
Organic Chemistry Portal: ,: Online free
Chemsynthesis: http://www.chemsynthesis.com : Online free
ChemExper: https://www.chemexper.com/: Online free
Chemicalbook: www.chemicalbook.com : Online free
Pub Chem compound: http://pubchem.ncbi.nlm.nih.gov/: Online free
E-molecules: http://www.emolecules.com: Online free
Chemspider: http://www.chemspider.com : Online free
Reaxys: https://www.reaxys.com/ : Online payable
SciFinder: http://www.cas.org,: Online payable
STN: https://stnweb.cas.org/;: Online payable
CAS Registry Number (RN)/ Beilstein / Gmelin Registry Number (BRN/GRN)/ Chemindex/ Royal Society of Chemistry/ : Online free or payable
Search at the Chemical Abstract (SciFinder)! This is one of the most complete chemical database. Starting from 1908 it includes compounds known since the 19 century. There are other good database but I have access to Scifinder. If you need help, please send me an e-mail (you will find my contact at www.luizclaudiobarbosa.com.br )
SciFinder is pretty good, but sometimes I get much more comprehensive results with https://www.reaxys.com/info/?source=classic
Both Scifinder and Reaxys are equally good, chose one depending on your access to the service.
Scifinder and Reaxys electronic databases both have gaps, however, if you have access to both Scifinder and Reaxys then you can be very confident that your compound is novel, but you cannot be 100%.
For your thesis you could simply state that the compounds are "novel" based on the literature search you are able to make. This avoids making an over reaching statement. Characterise all compounds that are potentially new as if they are novel since even if the compound appears in the older literature its structure may be incorrect and its spectroscopic data very limited.
Dear mahrath you can use chemspider websites the url is www.chemspider.com.......if your synthesized compounds are novel it will give 0 match, if published in any way it will give some patents or other references, but still Scifinder is most reliable if subscribed or purchased by your department/university.
Ya true there are several databases
https://www.reaxys.com/info/?source=classic
Scifinder
www.chemspider.com
www.drugbank.com etc.
Ya ........ by the help of SciFinder you can search you compounds with the structure also.....
Novelty does mean that the compounds are new and of importance with regard to their biological activity.
Use Scifinder, and select "Explore substances" at the very top of the screen. I suggest you to plot structure. Sometimes a substance can be named in different ways. You can also search similar structures. If you get 0 match, you are in the right way.
1st draw the molecule in chem draw and search it through sci finder software.if u dnt get any information about this molecule then your molecule will be novel one.
yes sci finder and reaxys search will be sufficient for your molecules but even if your molecules are reported, are u doing bio activity which may not be known.
Neither Sci finder nor reaxys is 100% reliable if the literature is in Chinese or Japanese or depends on their frequency of up-dation of literature. there may be some unpublished work also like similar research thesis, conferences and symposiums, poster presentations etc.
Along with all above... you should also go through Dictionary of Organic compounds(all volumes)
Reaxys is a good altertative, if you don´t have access to the scifinder...
if we want to know whether the natural products or the synthesized compounds is new or known, we can check at Sci-finder scholar.
Where you are working for Ph. D. If you are working with well known organisation then the "Reaxys" is a best answer other wise go with Science Finder or e-molecule is there to check your work. In my mind if we go through proper literature serve then you do not confuse you are on write way. If you do not done any literature serve then there will be a problem.
For conformation Reaxys, Science Finder, emolecule & Pubchem structure suarch
SciFinder in combination with substructure search is the method of choice (always include Beilstein, doesn't it?). Reaxys is a good alternative. Do not forget a patent search.
Hello My Dear Alaa JAfear,
HI
Greetings!!!
To address your query the below said answers are correct.
But Scifinder and Reaxys gives 60 to 70 % results.(I hope you already completed your search in above both search -engines), Further to your query cheap way is----
You can search - a key word search in all patent data bases like free data bases such as WIPO pat search, Espacenet and USPTO patent search( incl Granted as well as application search).
even if you are not unalble to find any relevent data.
You can search STR search in STN, may give you more than 90% results
apart from good solutions given above, you can never be sure about total novelty of your structure, especially if the structure have certain drug likeness (heterocyclic compound with MW below 500, logP between 0 and 5, preferably with less than 5 hydrogen donors etc). Private companies keep millions of unique in-house compounds, which will never be published or patented.
Well, for new compounds one can conduct literature survey in numerous ways by providing different info. to SciFinder, ISI web of Science, EndNote etc. However to work with Structural formulae SciFinder seems to be the best Choice.
Cheers!
STR search in STN as well as comparing them with PUBChem or Pass searches can help you to find out your query
STR search in STN as well as comparing them with PUBChem or Pass searches can help you to find out your query
You can draw them in SciFinder and then if you get their CAS it means they are already described. Other way is to draw them in ChemDraw, request for molecules names and then look for them in the literature. The last is more unspecific way because you can find different names from the same structure but it can works if you do not have SciFinder license.
you can go for online search database like sci-finder, reaxys, Beilstein database. you have subscription then only you can use these. you can refer that. can also look e-molecules, pub chem etc.
don't forget to look patent database.
Chemical Abstracts service in Columbus keeps track of all reported chemicals. Contact them.
As well as Amador Garcia said, try Sci-Finder into the substances drawing applet. Include substructure match, just in case.
Draw the structure of your molecule in Scifinder and do a "structure similarity search" and see the hits you get. Try looking at all the hits, you would get an idea if it is novel enough or not!
No substitute for a prolonged, focused Literature search -hard copy as well as on line or digital! John Johnson Appleton Scientific
Draw the structure in any molecular drawing software and try the search in chemspider by Royal Society of Chemistry (open software). Scifinder is an institutional licensed software.
It may be too late to check the novelty of the prepared compounds AFTER their synthesis...
If you have library then go through reference books likes....
1. Chemical Abstracts & its latest supplementary
2. Organic Syntheses, Collective Volumes
Otherwise go through online free or payable search engine:
Generally many university or college, R&D centre and industries have online free or payable data base search engine likes
Google, Google (Scholar), yahoo, : Online free
All Journals web sites, : Online free or payable
Patents (USP, EP, WO....),: Online free
Organic Syntheses Website: ,: Online free
Organic Chemistry Portal: ,: Online free
Chemsynthesis: http://www.chemsynthesis.com : Online free
ChemExper: https://www.chemexper.com/: Online free
Chemicalbook: www.chemicalbook.com : Online free
Pub Chem compound: http://pubchem.ncbi.nlm.nih.gov/: Online free
E-molecules: http://www.emolecules.com: Online free
Chemspider: http://www.chemspider.com : Online free
Reaxys: https://www.reaxys.com/ : Online payable
SciFinder: http://www.cas.org,: Online payable
STN: https://stnweb.cas.org/;: Online payable
CAS Registry Number (RN)/ Beilstein / Gmelin Registry Number (BRN/GRN)/ Chemindex/ Royal Society of Chemistry/ : Online free or payable
You may try chemspider from RSC because it's open access. Draw the molecule and place in the chemspider search
Just draw the structure in the Scifinder or Reaxys and search. You can also use the Chemical Index Database in the Drugfuture online.
You have to use sci finder to check.also search in Google scholar also to make it sure that your work is not published in any paper any book or in any paten.
To clarify novelty of a compound, at best you do the search before you start the synthesis. But synthetic chemistry is that interesting why often other things will happen than originally planned. And side-products are not seldom excellent starting points for new structural classes or even novel compounds. A comprehensive search for a novel compound should be done by use of REAXYS plus SCIFINDER. If you plan to file a patent, complete compound-based patent searches always have to take into account generic MARKUSH structures that are widely used in patent claims, use Scifinder. Good luck!
Just draw the structure in the Scifinder or Reaxys and search. You can also use the Chemical Index Database in the Drugfuture online.
write your strucures in SciFinder, that is the best way to find out if your products are new
Web of science and scifinder are the best, chemspider is also pretty great.
To confirmed that your work is new, search your structure in Sci-finder, Pub-chem. or Google scholar.From there you can view similar structures if your molecule is not found in the search results.
SciFinder is king, try to use that first. Reaxys second. There are some (rare) cases in which I could find the compounds on Reaxys but not SciFinder. If the Institute you are working in did not pay for access, then you are going to have a bit of a hard time.
Only & only Chemical abstract search can help you in this regard. Best check online if possible for latest issues.
Hi
the best and reliable source which can be quoted and counted on is chemical abstract because it can not go wrong.
best of luck
You can search on Internet google search & search for Chemical abstracts
SPRESI is one of the free option for searching the novelty of compounds
The problem is that it is more easy to prove a positive than a negative, if you look in the Cambridge data base of crystallographic data and find the compound then you have proved it exists. I would say that a search of the Cambridge database is always worth while, but bear in mind that if you do not find it there it is possible that it is a compound which has never been characterised by crystallography.
I would advise doing a search of Beilstein (on line). If you do not find the compound then check chemical abstracts for any mention of the compound.
Be careful there are things which exist which have been left out of both Beilstein and Chemical Abstracts.
Scifinder is your best bet but unfortunately it isnt free and your insitution would need a site licence. Searching for structures you can try the Cambridge Structural Database but again its not free so you will need access to that. If you wrote a literature review, how did you find the relevant literature? I think it would be very difficult to do research without access either to Beilstein or Chemical Abstracts/Scifinder. One thing you could do is see if your institution could have access to a trial versoin of Scifinder, they might give you access for a few weeks/months to try it out so you could do all of your searchers then.
Dear Dr Alaa J Mahrath ,
Hot Salamaats from Oujda/ Morocco/ Africa
No problem at all...I will do it for you_ for free. Just send me the molecular structure of all your heterocyclic compounds.
Better than that, we can execute POM calculations on each compound (for free) and let you knowb if you have a real treasure under hand or just a classic series of organic compounds.
If we found your compounds represent an attractive pharmaceutic profile, we will be happy to screen them for you (of course for free)....
We can do all this for you for free in condition, you should have 100% pur compounds...the rest will be fine....We can make you happy...try to work on POM platform...You will love it..I promise you
ALLKAH HAFIZ
Prof Dr Taibi Ben Hadda
====================================== Mohammed First University, Faculty of Sciences Materials Chemistry Laboratory, Oujda-60000. Morocco.
Phone: (+212) (0) 6 66 13 41 78; Fax: (+212) (0) 5 36 50 06 03 E-mail: [email protected]; My Skype: Taibi Ben Hadda ====================================== URL-01: http://scholar.google.co.in/citations?user=KQDRRUMAAAAJ&hl=en URL-02: http://www.researchgate.net/profile/Taibi_BEN_HADDA/publications/ URL-03: http://www.mp3quran.net/rashad.html
Use have to use online resources . In my lab we are mainly using the following online resources. out of those some are free. If you are working in a university the payable also available.........
Online free
Patents (USP, EP, WO....)
Organic Syntheses Website:
The very best source is the Chemical Abstracts Service (part of the American Chemical Society). They keep track of all published chemicals. Contact them and ask them if they have a record of your chemicals.
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