⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8686925 | 0.98 | OPRL1 (0.30) | — | |
| SCHEMBL8685924 | 0.98 | OPRL1 (0.30) | — | |
| SCHEMBL3053192 | 0.85 | — | — | |
| SCHEMBL7789990 | 0.79 | MAPK1 (0.30) | — | |
| SCHEMBL8686229 | 0.73 | — | — | |
| SCHEMBL23110175 | 0.69 | — | — | |
| SCHEMBL7787819 | 0.67 | MAPK1 (0.30) | — | |
| SCHEMBL23733570 | 0.67 | — | — | |
| SCHEMBL19691982 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL3050342 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804425-A2 | BENZODIAZEPINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-05 | — | — | EP | disclosed |