⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6757419 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL33881 | 0.71 | CYP1A2 (0.42) | — | |
| SCHEMBL3944376 | 0.70 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL6759507 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL3621969 | 0.67 | RECQL (0.53) | — | |
| SCHEMBL3941204 | 0.65 | MGMT (0.33) | — | |
| Hydrochloric Acid SCHEMBL6755818 | 0.65 | TSHR (0.53) | — | |
| SCHEMBL3952062 | 0.64 | CYP1A2 (0.36) | — | |
| SCHEMBL5387962 | 0.64 | SLC9A1 (0.36) | — | |
| SCHEMBL5420176 | 0.64 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406874-B1 | COMPOUNDS DERIVED FROM DIAMINOPYRAZOLES SUBSTITUTED BY AN AMINOALKYL OR AMINOALKENYL RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES | OREAL (FR) | 2007-03-28 | — | — | EP | claimed |
| US-7014663-B2 | Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2006-03-21 | — | — | US | claimed |
| US-20050015893-A1 | Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2005-01-27 | — | — | US | claimed |