⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL942903 | 0.77 | — | — | |
| SCHEMBL3625975 | 0.73 | — | — | |
| SCHEMBL20536810 | 0.71 | — | — | |
| SCHEMBL992523 | 0.71 | — | — | |
| SCHEMBL945869 | 0.69 | — | — | |
| SCHEMBL4615193 | 0.69 | — | — | |
| SCHEMBL4616022 | 0.69 | — | — | |
| SCHEMBL4612629 | 0.69 | — | — | |
| SCHEMBL4612620 | 0.69 | — | — | |
| SCHEMBL4613471 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1481660-B1 | Cosmetic | SHINETSU CHEMICAL CO (JP) | 2008-02-20 | — | — | EP | disclosed |
| US-20040241126-A1 | Cosmetic | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-12-02 | — | — | US | disclosed |
| EP-1481660-A1 | Cosmetic | Shin-Etsu Chemical Co., Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |