⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992619 | 0.80 | PNMT (0.33) | — | |
| SCHEMBL22789199 | 0.73 | HPGD (0.35) | — | |
| SCHEMBL2989319 | 0.64 | PNMT (0.34) | — | |
| SCHEMBL6422003 | 0.63 | PNMT (0.46) | — | |
| SCHEMBL2994722 | 0.62 | HTR2C (0.33) | — | |
| SCHEMBL5556309 | 0.62 | — | — | |
| SCHEMBL13400738 | 0.61 | KMT2A (0.37) | — | |
| SCHEMBL22774706 | 0.57 | MAPT (0.38) | — | |
| SCHEMBL22789191 | 0.57 | ANO1 (0.33) | — | |
| SCHEMBL12321814 | 0.57 | KMT2A (0.34) | — |
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-1778243-A2 | SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS | Athersys, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006004931-A2 | SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS | ATHERSYS, INC. (US) | 2006-01-12 | — | — | WO | disclosed |