⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28935132 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL28934884 | 0.68 | — | — | |
| SCHEMBL28935074 | 0.68 | — | — | |
| SCHEMBL28935101 | 0.68 | — | — | |
| SCHEMBL3061024 | 0.64 | — | — | |
| SCHEMBL12346126 | 0.62 | — | — | |
| SCHEMBL2238126 | 0.62 | — | — | |
| SCHEMBL2237753 | 0.60 | — | — | |
| SCHEMBL24391426 | 0.59 | — | — | |
| SCHEMBL1666517 | 0.59 | CYP19A1 (0.32) | — |
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-115975202-A | Siloxane-modified fluorine-containing antibacterial polymethyl siloxane with antibacterial hydrophobic function and preparation method and application thereof | 苏州东杏新材料科技有限公司 | 2023-04-18 | — | — | CN | claimed |