⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5425125 | 0.81 | — | — | |
| SCHEMBL6242296 | 0.79 | — | — | |
| SCHEMBL5393771 | 0.77 | L3MBTL1 (0.34) | — | |
| SCHEMBL5433865 | 0.74 | RPS6KA5 (0.31) | — | |
| SCHEMBL5161105 | 0.74 | — | — | |
| SCHEMBL4730392 | 0.74 | — | — | |
| SCHEMBL5394319 | 0.71 | USP2 (0.31) | — | |
| SCHEMBL5392475 | 0.71 | USP2 (0.31) | — | |
| SCHEMBL144678 | 0.71 | PIK3CD (0.30) | — | |
| SCHEMBL5160602 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406874-A1 | COMPOUNDS DERIVED FROM DIAMINOPYRAZOLES SUBSTITUTED BY AN AMINOALKYL OR AMINOALKENYL RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES | L'OREAL (FR) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003008385-A1 | COMPOUNDS DERIVED FROM DIAMINOPYRAZOLES SUBSTITUTED BY AN AMINOALKYL OR AMINOALKENYL RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES | L'OREAL (FR) | 2003-01-30 | — | — | WO | disclosed |