⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6571021 | 0.81 | BACE1 (0.34) | — | |
| SCHEMBL6571990 | 0.80 | PRKCZ (0.33) | — | |
| SCHEMBL6572300 | 0.78 | — | — | |
| SCHEMBL6574556 | 0.73 | HTR7 (0.41) | — | |
| SCHEMBL6574519 | 0.73 | PLA2G7 (0.39) | — | |
| SCHEMBL8098435 | 0.72 | MCL1 (0.31) | — | |
| SCHEMBL12005742 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL2130114 | 0.67 | CYP19A1 (0.39) | — | |
| SCHEMBL8060933 | 0.66 | CYP1A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11512346 | 0.65 | CYP19A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1051143-B1 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AG (DE) | 2004-07-21 | — | — | EP | claimed |
| EP-1051143-B1 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AG (DE) | 2004-07-21 | — | — | EP | disclosed |
| EP-1051143-A2 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | Wella Aktiengesellschaft (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999059527-A2 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AKTIENGESELLSCHAFT (DE) | 1999-11-25 | — | — | WO | disclosed |