⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28478171 | 0.81 | GAA (0.38) | — | |
| SCHEMBL28857974 | 0.78 | KDM4E (0.37) | — | |
| SCHEMBL9109587 | 0.72 | — | — | |
| SCHEMBL28003196 | 0.67 | — | — | |
| SCHEMBL2908371 | 0.64 | — | — | |
| SCHEMBL18117380 | 0.62 | — | — | |
| SCHEMBL11545995 | 0.62 | — | — | |
| SCHEMBL4621463 | 0.62 | — | — | |
| SCHEMBL209023 | 0.62 | — | — | |
| SCHEMBL5030223 | 0.62 | — | — |
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-115191438-A | Novel bactericide gel and preparation method thereof | 盐城市聚科化工有限公司 | 2022-10-18 | — | — | CN | claimed |