⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9850668 | 0.83 | — | — | |
| SCHEMBL28915465 | 0.79 | — | — | |
| SCHEMBL10606756 | 0.78 | — | — | |
| SCHEMBL29217196 | 0.77 | — | — | |
| SCHEMBL2351783 | 0.77 | — | — | |
| SCHEMBL27696409 | 0.77 | — | — | |
| SCHEMBL17373690 | 0.77 | — | — | |
| SCHEMBL17373689 | 0.77 | — | — | |
| SCHEMBL21322058 | 0.76 | — | — | |
| SCHEMBL3462479 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104781229-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | 三井化学株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-105017080-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, spectacle material, spectacle frame, and lens | 三井化学株式会社 | 2016-10-12 | — | — | CN | disclosed |
| EP-0344425-B1 | N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents | WARNER LAMBERT CO (US) | 1993-12-08 | — | — | EP | disclosed |
| EP-0344425-A2 | N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents | WARNER-LAMBERT COMPANY (US) | 1989-12-06 | — | — | EP | disclosed |