⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12178130 | 1.00 | — | — | |
| SCHEMBL3381400 | 0.72 | — | — | |
| SCHEMBL2595093 | 0.70 | — | — | |
| SCHEMBL19881320 | 0.67 | — | — | |
| Water SCHEMBL9321524 | 0.67 | — | — | |
| SCHEMBL7110071 | 0.67 | — | — | |
| SCHEMBL12178112 | 0.67 | — | — | |
| SCHEMBL20716080 | 0.67 | — | — | |
| SCHEMBL31529602 | 0.67 | — | — | |
| SCHEMBL15120738 | 0.65 | — | — |
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-6471730-B1 | READY TO USE HAIR DYE CONTAINING OXIDATION COLORING AGENT, CATIONIC POLYMERS AND ENZYME; HYDROGEN PEROXIDE FREE; HOMOGENEOUS, INTENSE; NONDEGRADING OR DECOLOURING OF KERATINOUS FIBERS | L'OREAL (FR) | 2002-10-29 | — | — | US | disclosed |
| EP-1047377-B1 | DYEING COMPOSITION CONTAINING A LACCASE AND KERATINOUS FIBRE DYEING METHODS USING SAME | OREAL (FR) | 2001-06-27 | — | — | EP | disclosed |