⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5667726 | 0.70 | — | — | |
| Butanol SCHEMBL27305708 | 0.70 | — | — | |
| SCHEMBL7593032 | 0.69 | — | — | |
| SCHEMBL23701186 | 0.67 | — | — | |
| Butanol SCHEMBL55899 | 0.65 | — | — | |
| Butanol SCHEMBL55049 | 0.65 | — | — | |
| Butanol SCHEMBL2012224 | 0.65 | TSHR (1.00) | — | |
| SCHEMBL1333327 | 0.65 | — | — | |
| Butanol SCHEMBL1418 | 0.65 | — | — | |
| SCHEMBL18233518 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109790190-B | Curing agent for silicone rubber material | 硝基化学阿绍有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-107428785-B | Silanes and curable compositions containing silanes as crosslinkers | 汉高股份有限及两合公司 | 2021-05-07 | — | — | CN | disclosed |
| CN-107360721-B | Curable polymeric compositions | 汉高股份有限及两合公司 | 2020-07-03 | — | — | CN | disclosed |