Dear colleagues, currently I run an academic project dealing with rational discovery of novel antagonists of one of the GPCRs. I performed a hierarchical virtual screening of few libraries (some comprising natural compounds, others - synthetic), and selected few dozens for the evaluation in a cell-based system. In the tests, some compounds showed promising results, and now I am wondering how can I check the newness/patentability of their molecular scaffolds. Have no idea where to start. Are there any specific services for these? Or maybe you can suggest some helpful literature on this topic?
Thanks for any suggestions!
You can use Chemical Abstract Services like Scifinder, Reaxys, STN on the web, SPRESI (Scientific Chemical Databases) and many more. Chemical Abstract Services keep track of all synthesized compounds.
Ofcourse, there are other online tools also like Chemspider, E-molecule, Chemexpert, Pub chem compound and many more.
https://www.reaxys.com/
https://stnweb.cas.org/
https://www.spresi.com/
CAS- Scifinder, and check each new (you think) product for patentability!
Dr. Duke's Database (https://phytochem.nal.usda.gov/phytochem/search)
Dr. Duke's Phytochemical and Ethnobotanical databases facilitate in-depth plant, chemical, bioactivity, and ethnobotany researches. But it contains only plant derived phytocompounds
Otherwise you can use
ZINC Database http://zinc.docking.org/
Drug Bank https://www.drugbank.ca/databases
Thanks for the answers to everyone!
But I am curious to know how to check the patentability? Are there any databases / finders for this?
Dear Sergii,
Basically, checking so-called "patent cleanliness" is not a trivial task and although, usually doable using home resources - I'd rather suggest finding the support of a company who supports this process. There are many databases that should be checked and the patent area itself is full of law tricks, therefore when one is not really keen on deep details - it's pretty easy to make some mistakes. Nevertheless, you might want to start from some general resources, like https://www.drugpatentwatch.com/p/.
If you have some more specific questions - don't hesitate to ask (here on in priv). Good luck!
I have used Chemspider, E-molecule, Zinc, Pub chem, and did a google search by using InChI Key to check the novelty of my molecules to be synthesized.
1. I found no data regarding clinical trials and activity, and no references on any platform. I have no access to Sci finder, so can I consider my molecules as a novel on the basis of this search?
2. Vendors are available for my molecules on the zinc database and ChemSpider, although they are not available for purchase, as I have downloaded those molecules as a result of virtual screening via zinc pharmer.
Querry is that why those molecules are showing as purchasable or in stock if no data is available?
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