⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL5691413 | 0.95 | — | — | |
| SCHEMBL17598697 | 0.60 | — | — | |
| SCHEMBL244747 | 0.59 | — | — | |
| SCHEMBL1651208 | 0.59 | — | — | |
| SCHEMBL367548 | 0.59 | — | — | |
| Sulfurous Acid SCHEMBL31465170 | 0.58 | — | — | |
| SCHEMBL50647 | 0.56 | — | — | |
| Bromide SCHEMBL11127118 | 0.56 | — | — | |
| Fluoride SCHEMBL8841037 | 0.56 | — | — | |
| SCHEMBL29522 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040107513-A1 | Dyeing composition for dyeing keratinous fibres comprising a cationic azo-dye | L'OREAL S.A. (FR) | 2004-06-10 | — | — | US | claimed |