⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12536068 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL9413896 | 0.57 | ABCB1 (0.53) | — | |
| SCHEMBL10258814 | 0.57 | KDM4E (0.46) | — | |
| SCHEMBL3670530 | 0.57 | LMNA (0.41) | — | |
| SCHEMBL16781741 | 0.56 | — | — | |
| SCHEMBL10982820 | 0.55 | CDK1 (0.35) | — | |
| SCHEMBL20869795 | 0.55 | LMNA (0.39) | — | |
| SCHEMBL18191917 | 0.54 | NOS1 (0.36) | — | |
| SCHEMBL6484281 | 0.54 | — | — | |
| SCHEMBL14226597 | 0.53 | — | — |
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 5 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-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-20110003845-A1 | SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-06 | — | — | US | disclosed |