⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2110582 | 0.73 | — | — | |
| SCHEMBL834933 | 0.73 | — | — | |
| SCHEMBL1148848 | 0.72 | — | — | |
| SCHEMBL10676666 | 0.69 | — | — | |
| SCHEMBL8575230 | 0.68 | CYP3A4 (0.30) | — | |
| SCHEMBL446795 | 0.68 | — | — | |
| SCHEMBL11712450 | 0.65 | LAP3 (0.32) | — | |
| SCHEMBL831645 | 0.64 | — | — | |
| SCHEMBL10543871 | 0.64 | — | — | |
| SCHEMBL131329 | 0.63 | — | — |
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-0765314-A1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995034540-A1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-12-21 | — | — | WO | disclosed |