⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6735610 | 0.85 | CHEK1 (0.40) | — | |
| SCHEMBL6740985 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL6737909 | 0.79 | MAPT (0.42) | — | |
| SCHEMBL6269108 | 0.76 | CA12 (0.33) | — | |
| SCHEMBL6740811 | 0.75 | MEN1 (0.36) | — | |
| SCHEMBL6734731 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL6742154 | 0.74 | CD44 (0.33) | — | |
| SCHEMBL6742125 | 0.73 | CASP1 (0.38) | — | |
| SCHEMBL6483746 | 0.71 | MEN1 (0.47) | — | |
| SCHEMBL6476804 | 0.70 | CASP1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6685751-B2 | SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES | WELLA AKTIENGESELLSCHAFT (DE) | 2004-02-03 | — | — | US | disclosed |
| US-6602302-B1 | Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair | WELLA AG (DE) | 2003-08-05 | — | — | US | disclosed |
| US-20030110578-A1 | Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2003-06-19 | — | — | US | disclosed |
| EP-1108708-B1 | 1,4-Diaminobenzene derivatives and colouring agents containing these compounds | WELLA AG (DE) | 2003-01-08 | — | — | EP | disclosed |
| EP-1108708-A1 | 1,4-Diaminobenzene derivatives and colouring agents containing these compounds | Wella Aktiengesellschaft (DE) | 2001-06-20 | — | — | EP | disclosed |