⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19245113 | 0.84 | — | — | |
| SCHEMBL19263818 | 0.84 | — | — | |
| SCHEMBL19245116 | 0.80 | — | — | |
| SCHEMBL19604043 | 0.73 | — | — | |
| SCHEMBL19546829 | 0.73 | — | — | |
| SCHEMBL19772921 | 0.72 | — | — | |
| SCHEMBL14536721 | 0.72 | — | — | |
| SCHEMBL20841248 | 0.70 | — | — | |
| SCHEMBL19234815 | 0.69 | — | — | |
| SCHEMBL24332990 | 0.68 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230310294-A1 | COMPOSITION FOR SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBERS, COMPRISING A PARTICULAR HETEROCYCLIC SALT, AND PROCESS USING THIS COMPOSITION | L'OREAL (FR) | 2023-10-05 | — | — | US | disclosed |
| US-9968534-B2 | Anionic direct dye having a tetraalkylammonium counterion, dyeing composition comprising them and method for dyeing keratinous fibres starting from these dyes | L'OREAL (FR) | 2018-05-15 | — | — | US | disclosed |