⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1074390 | 0.84 | HTT (0.35) | — | |
| SCHEMBL12376462 | 0.82 | ADORA1 (0.30) | — | |
| SCHEMBL12376482 | 0.75 | — | — | |
| SCHEMBL12376483 | 0.75 | KDM4E (0.46) | — | |
| SCHEMBL12536073 | 0.74 | ADORA2A (0.46) | — | |
| SCHEMBL12376487 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL12376507 | 0.70 | ADORA1 (0.64) | — | |
| SCHEMBL12910802 | 0.69 | KDM4E (0.51) | — | |
| SCHEMBL12376472 | 0.69 | NPSR1 (0.32) | — | |
| SCHEMBL13390367 | 0.69 | PRF1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |