⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4094989 | 0.73 | — | — | |
| SCHEMBL24973134 | 0.71 | — | — | |
| SCHEMBL5557928 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL4760168 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL4759555 | 0.68 | KDR (0.37) | — | |
| SCHEMBL699047 | 0.65 | GAA (0.32) | — | |
| SCHEMBL11698200 | 0.64 | KMT2A (0.41) | — | |
| SCHEMBL2182503 | 0.64 | — | — | |
| SCHEMBL31582603 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL11061012 | 0.63 | CHEK1 (0.49) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4492699-A | NERVOUS SYSTEM DISORDERS | LILLY INDUSTRIES LIMITED (GB) | 1985-01-08 | — | — | US | disclosed |
| EP-0054416-B1 | BENZODIAZEPINE COMPOUNDS AND THEIR USE AS PHARMACEUTICALS | Lilly Industries Limited (GB) | 1984-08-22 | — | — | EP | disclosed |
| US-4431589-A | NEUROLEPTIC AGENTS; TRANQUILIZERS; CENTRAL NERVOUS SYSTEM DISORDERS | Lilly House (GB) | 1984-02-14 | — | — | US | disclosed |
| EP-0054416-A2 | Benzodiazepine compounds and their use as pharmaceuticals | Lilly Industries Limited (GB) | 1982-06-23 | — | — | EP | disclosed |