⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276000 | 0.79 | — | — | |
| SCHEMBL8880901 | 0.75 | — | — | |
| SCHEMBL8880898 | 0.75 | — | — | |
| SCHEMBL8880194 | 0.75 | — | — | |
| SCHEMBL934331 | 0.72 | — | — | |
| SCHEMBL9833497 | 0.70 | GAA (0.32) | — | |
| SCHEMBL4895507 | 0.68 | — | — | |
| SCHEMBL526351 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL20553278 | 0.65 | — | — | |
| SCHEMBL5510055 | 0.63 | — | — |
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-7758658-B2 | Colouring composition | KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) | 2010-07-20 | — | — | US | disclosed |
| US-20090038087-A1 | An aqueous coloring composition for human hair comprising an oxidative dyestuff precursor, a coupling agent and an arylated silicone; combability, elasticity, smoothness and softnessimproves hair with excellent shine, vibrancy and brilliance | KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) | 2009-02-12 | — | — | US | disclosed |