⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7458395 | 0.88 | — | — | |
| SCHEMBL7461069 | 0.82 | MAP4K4 (0.34) | — | |
| SCHEMBL7456579 | 0.81 | — | — | |
| SCHEMBL7812289 | 0.78 | — | — | |
| SCHEMBL7461291 | 0.78 | KCNH2 (0.36) | — | |
| SCHEMBL7461985 | 0.78 | — | — | |
| SCHEMBL7454359 | 0.78 | CETP (0.31) | — | |
| SCHEMBL7461521 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL7807625 | 0.77 | CETP (0.33) | — | |
| SCHEMBL7457113 | 0.75 | CYP3A4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0963982-B1 | New diaminobenzene derivatives and these componends containing colouring agents | WELLA AG (DE) | 2002-03-13 | — | — | EP | disclosed |
| 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 |
| EP-0963982-A2 | New diaminobenzene derivatives and these componends containing colouring agents | Wella Aktiengesellschaft (DE) | 1999-12-15 | — | — | EP | disclosed |