⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5391923 | 0.95 | — | — | |
| SCHEMBL6943391 | 0.93 | CYP1A2 (0.31) | — | |
| SCHEMBL9443826 | 0.91 | — | — | |
| SCHEMBL6944829 | 0.90 | PIK3CG (0.31) | — | |
| SCHEMBL29400765 | 0.90 | CYP1A2 (0.32) | — | |
| SCHEMBL33967 | 0.90 | CYP1A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL19858971 | 0.87 | CYP1A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL30706492 | 0.87 | CYP1A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3763676 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL28837049 | 0.87 | CYP1A2 (0.31) | — |
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-20050188477-A1 | Composition for dyeing keratin fibers, comprising at least one alcohol oxidase and at least one silicone chosen from amino silicones and oxyalkylenated silicones, and process using this composition | L'OREAL S.A. (FR) | 2005-09-01 | — | — | US | disclosed |