⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15592237 | 0.83 | CA12 (0.32) | — | |
| SCHEMBL8024835 | 0.81 | — | — | |
| SCHEMBL29008797 | 0.80 | — | — | |
| SCHEMBL11457501 | 0.80 | — | — | |
| SCHEMBL29008790 | 0.80 | — | — | |
| SCHEMBL24073337 | 0.80 | — | — | |
| SCHEMBL12039277 | 0.80 | — | — | |
| SCHEMBL15592246 | 0.74 | — | — | |
| SCHEMBL15592239 | 0.74 | — | — | |
| SCHEMBL18948262 | 0.70 | CA12 (0.33) | — |
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-4440781-A | TRANQUILIZERS; ANTICONVULSANTS; ANTIDEPRESSANTS; ALCOHOL AND TOBACCO WITHDRAWAL | THE VINOXEN COMPANY, INC. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4424202-A | Azelaaldehydates as psychotropic agents | THE VINOXEN COMPANY, INC. (US) | 1984-01-03 | — | — | US | disclosed |