⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1076157 | 0.85 | KDM4E (0.36) | — | |
| SCHEMBL12376483 | 0.80 | KDM4E (0.46) | — | |
| SCHEMBL12376505 | 0.75 | — | — | |
| SCHEMBL12376462 | 0.75 | ADORA1 (0.30) | — | |
| SCHEMBL12910802 | 0.74 | KDM4E (0.51) | — | |
| SCHEMBL12536073 | 0.74 | ADORA2A (0.46) | — | |
| SCHEMBL12534747 | 0.68 | PRF1 (0.50) | — | |
| SCHEMBL12376487 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL13390349 | 0.67 | USP7 (0.40) | — | |
| SCHEMBL13390585 | 0.67 | ADORA1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9205077-B2 | 2-alkoxy-substituted dicyanopyridines and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-12-08 | — | — | US | disclosed |
| US-20140296295-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-02 | — | — | US | disclosed |
| US-8791146-B2 | 2-alkoxy-substituted dicyanopyridines and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-07-29 | — | — | US | disclosed |
| US-8426602-B2 | Heteroaryl-substituted dicyanopyridines and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-23 | — | — | US | disclosed |
| US-20110207698-A1 | HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-08-25 | — | — | US | disclosed |
| US-20110136871-A1 | 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE | BAYER SCHERING AKTIENGESELLSCHAFT (DE) | 2011-06-09 | — | — | US | disclosed |