⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10960992 | 1.00 | INMT (0.80) | — | |
| SCHEMBL7622419 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8462888 | 0.95 | — | — | |
| SCHEMBL11743476 | 0.91 | INMT (0.67) | — | |
| SCHEMBL2887326 | 0.89 | — | — | |
| SCHEMBL11743467 | 0.87 | INMT (0.61) | — | |
| Hydrochloric Acid SCHEMBL11484689 | 0.86 | — | — | |
| SCHEMBL11485199 | 0.80 | INMT (0.81) | — | |
| SCHEMBL19063092 | 0.74 | — | — | |
| SCHEMBL8236320 | 0.71 | INMT (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4046909-A | Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-09-06 | — | — | US | disclosed |
| US-3998958-A | Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-12-21 | — | — | US | disclosed |