⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28183324 | 0.80 | CES2 (0.59) | — | |
| SCHEMBL8712062 | 0.78 | CES2 (0.50) | — | |
| SCHEMBL10938265 | 0.78 | CES2 (0.50) | — | |
| SCHEMBL722981 | 0.75 | — | — | |
| SCHEMBL14342910 | 0.75 | — | — | |
| SCHEMBL5245487 | 0.75 | — | — | |
| SCHEMBL21538114 | 0.75 | — | — | |
| SCHEMBL3662485 | 0.73 | — | — | |
| SCHEMBL474039 | 0.73 | — | — | |
| SCHEMBL1877989 | 0.73 | — | — |
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-108059705-B | Aqueous polyurethane resin hydrolysis-resistant agent and preparation method and application thereof | 上海华峰新材料研发科技有限公司 | 2020-08-28 | — | — | CN | claimed |