⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11596045 | 0.69 | CYP2D6 (0.33) | — | |
| SCHEMBL11681294 | 0.66 | PNP (0.39) | — | |
| Hydrochloric Acid SCHEMBL5759108 | 0.64 | — | — | |
| SCHEMBL692286 | 0.63 | TKT (0.36) | — | |
| SCHEMBL30976534 | 0.63 | CYP2D6 (0.37) | — | |
| SCHEMBL5157702 | 0.62 | CYP1A2 (0.36) | — | |
| SCHEMBL5153646 | 0.62 | — | — | |
| SCHEMBL7521032 | 0.60 | TDP1 (0.30) | — | |
| SCHEMBL8369363 | 0.60 | THRB (0.32) | — | |
| SCHEMBL7555312 | 0.59 | GAA (0.42) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007071686-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| EP-0728466-B1 | Keratinous fibers oxidation dyeing composition comprising an oxidation base, an indolic coupler and an additional heterocyclic coupler and dyeing process | OREAL (FR) | 2000-06-14 | — | — | EP | claimed |
| US-5769903-A | Composition for the oxidation dyeing of keratin fibers, comprising an oxidation base, an indole coupler and an additional heterocyclic coupler, and dyeing process | L'OREAL (FR) | 1998-06-23 | — | — | US | claimed |
| EP-0728466-A1 | Keratinous fibers oxidation dyeing composition comprising an oxidation base, an indolic coupler and an additional heterocyclic coupler and dyeing process | L'OREAL (FR) | 1996-08-28 | — | — | EP | claimed |
| EP-0252351-B1 | 5-ALKOXY-2,4-DIAMINO-ALKYLBENZENES AND HAIR DYES CONTAINING SAME | Wella Aktiengesellschaft (DE) | 1990-09-12 | — | — | EP | claimed |
| US-4854935-A | OXIDATION COLOR DYE COUPLERS | WELLA AKTIENGESELLSCHAFT (DE) | 1989-08-08 | — | — | US | claimed |
| WO-2007071686-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | disclosed |
| EP-1518540-A1 | Dye composition comprising a hydroxyalkylated secondary p-phenylene diamine base, a first coupler in form of a m-diphenol and a second coupler in form of a m-aminophenol and/or a heterocycle | L'OREAL (FR) | 2005-03-30 | — | — | EP | disclosed |
| EP-0728466-B1 | Keratinous fibers oxidation dyeing composition comprising an oxidation base, an indolic coupler and an additional heterocyclic coupler and dyeing process | OREAL (FR) | 2000-06-14 | — | — | EP | disclosed |
| US-5769903-A | Composition for the oxidation dyeing of keratin fibers, comprising an oxidation base, an indole coupler and an additional heterocyclic coupler, and dyeing process | L'OREAL (FR) | 1998-06-23 | — | — | US | disclosed |
| EP-0728466-A1 | Keratinous fibers oxidation dyeing composition comprising an oxidation base, an indolic coupler and an additional heterocyclic coupler and dyeing process | L'OREAL (FR) | 1996-08-28 | — | — | EP | disclosed |