⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27210119 | 0.85 | — | — | |
| SCHEMBL2007682 | 0.78 | — | — | |
| SCHEMBL15058722 | 0.75 | — | — | |
| SCHEMBL28148395 | 0.73 | — | — | |
| SCHEMBL28926847 | 0.73 | — | — | |
| SCHEMBL27719605 | 0.73 | — | — | |
| SCHEMBL11755716 | 0.73 | — | — | |
| SCHEMBL28155511 | 0.72 | — | — | |
| SCHEMBL876674 | 0.72 | — | — | |
| SCHEMBL16818361 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113576947-A | Organic silicon shampoo and preparation method thereof | 集思美创(广州)科技有限公司 | 2021-11-02 | — | — | CN | disclosed |