⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6088147 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL6086590 | 0.74 | GAA (0.38) | — | |
| SCHEMBL6086869 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL6087338 | 0.70 | TDP1 (0.49) | — | |
| SCHEMBL2988609 | 0.67 | RAB9A (0.56) | — | |
| SCHEMBL6087360 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL6087110 | 0.66 | HTR3E (0.41) | — | |
| SCHEMBL6088573 | 0.66 | ALDH1A1 (0.47) | — | |
| SCHEMBL6087168 | 0.63 | KDM4E (0.42) | — | |
| SCHEMBL1753026 | 0.61 | NPC1 (0.63) | — |
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-7056354-B2 | Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers | L'OREAL (FR) | 2006-06-06 | — | — | US | claimed |
| US-20040255397-A1 | Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers | L'OREAL (FR) | 2004-12-23 | — | — | US | claimed |
| EP-1412348-A1 | COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES | L'OREAL (FR) | 2004-04-28 | — | — | EP | claimed |
| WO-2003008405-A1 | COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES | L'OREAL (FR) | 2003-01-30 | — | — | WO | claimed |
| US-7056354-B2 | Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers | L'OREAL (FR) | 2006-06-06 | — | — | US | disclosed |