⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8938116 | 1.00 | — | — | |
| SCHEMBL30288219 | 0.95 | — | — | |
| SCHEMBL22127722 | 0.95 | — | — | |
| SCHEMBL13591362 | 0.93 | — | — | |
| SCHEMBL14037948 | 0.93 | — | — | |
| SCHEMBL4396424 | 0.93 | — | — | |
| SCHEMBL11178729 | 0.92 | CYP1A2 (0.34) | — | |
| SCHEMBL3404069 | 0.90 | EPHX1 (0.47) | — | |
| SCHEMBL29006681 | 0.88 | — | — | |
| SCHEMBL11293106 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110165110-A1 | Hair Conditioning Composition And Low Energy Method Of Producing The Same | SHISEIDO COMPANY, LTD. (JP) | 2011-07-07 | — | — | US | disclosed |
| US-20110135587-A1 | Hair Conditioning Composition | SHISEIDO COMPANY, LTD. (JP) | 2011-06-09 | — | — | US | disclosed |
| EP-2316414-A1 | HAIR CONDITIONER COMPOSITION | Shiseido Company, Ltd. (JP) | 2011-05-04 | — | — | EP | disclosed |