⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6594425 | 0.73 | TRPV4 (0.47) | — | |
| SCHEMBL7688191 | 0.70 | PGR (0.40) | — | |
| SCHEMBL5848936 | 0.69 | CYP3A4 (0.40) | — | |
| SCHEMBL6574292 | 0.64 | PGR (0.39) | — | |
| SCHEMBL7078087 | 0.64 | — | — | |
| SCHEMBL7017288 | 0.64 | NEU3 (0.35) | — | |
| SCHEMBL6573122 | 0.62 | PGR (0.50) | — | |
| SCHEMBL6199133 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL7049481 | 0.62 | PSIP1 (0.42) | — | |
| SCHEMBL160626 | 0.62 | CYP3A4 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0757680-A1 | N-CYANOARYL NITROGEN HETEROCYCLES | BAYER AG (DE) | 1997-02-12 | — | — | EP | disclosed |
| WO-1995029168-A1 | N-CYANOARYL NITROGEN HETEROCYCLES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-02 | — | — | WO | disclosed |