⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7455880 | 0.81 | — | — | |
| SCHEMBL8075185 | 0.72 | — | — | |
| SCHEMBL8099925 | 0.72 | CDK5 (0.30) | — | |
| SCHEMBL7452555 | 0.69 | — | — | |
| SCHEMBL8099970 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL8103710 | 0.66 | HSD17B10 (0.33) | — | |
| SCHEMBL8098613 | 0.66 | TAAR1 (0.36) | — | |
| SCHEMBL16236737 | 0.55 | CYP3A4 (0.55) | — | |
| SCHEMBL9801815 | 0.55 | — | — | |
| SCHEMBL16431200 | 0.52 | ALDH1A1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6132475-A | FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-10-17 | — | — | US | disclosed |