We are pleased to announce the release of ChEMBL_26 This version of the database, prepared on 10/01/2020 contains: 2,425,876 compound records 1,950,765 compounds (of which 1,940,733 have mol files) 15,996,368 activities 1,221,311 assays 13,377 targets 76,076 documents You can query the ChEMBL 26 data online via the ChEMBL Interface and you can also download the data from the ChEMBL FTP site . Please see ChEMBL_26 release notes for full details of all changes in this release. Changes since the last release: * Deposited Data Sets: CO-ADD antimicrobial screening data: Two new data sets have been included from the Community for Open Access Drug Discovery (CO-ADD). These data sets are screening of the NIH NCI Natural Product Set III in the CO-ADD assays (src_id = 40, Document ChEMBL_ID = CHEMBL4296183, DOI = 10.6019/CHEMBL4296183) and screening of the NIH NCI Diversity Set V in the CO-ADD assays (src_id = 40, Document ChEMBL_ID = CHEMBL4296182, DOI = 10.601
Comments
As to the source of the patent structures. There are a number of initiatives underway at the moment to text-mine chemical structures from patents. We're currently not free to say what some of these sources are, but one source could be the feed from the EPO team.
These structures would be loaded into UniChem (qv) and all the lookups done there.
A big problem with other ways of chemical patent data are shown by your other comments - indirect access through semi-open resources, with significant onus on the user to ensure they don't violate any explicit or ambiguous usage constraints/licenses.
One of the ideas of patent filings is explicitly to make things easy to find so researchers don't waste time recreating other peoples IP, and also can build on top of this. Current systems do not really allow this.....