⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28449513 | 0.81 | — | — | |
| SCHEMBL6319087 | 0.79 | — | — | |
| SCHEMBL11450538 | 0.75 | — | — | |
| SCHEMBL15966950 | 0.75 | — | — | |
| SCHEMBL10509555 | 0.75 | — | — | |
| SCHEMBL162868 | 0.75 | — | — | |
| SCHEMBL458708 | 0.74 | — | — | |
| SCHEMBL28380173 | 0.72 | CYP3A4 (0.37) | — | |
| SCHEMBL6856632 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL1205559 | 0.70 | — | — |
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-106751229-B | A kind of composition and preparation method thereof containing heterocycle type organic and polyalcohol composite PVC heat stabilizer | 湖北工业大学 | 2019-04-30 | — | — | CN | claimed |
| CN-106751229-A | A kind of heterocycle type organic and polyalcohol composite PVC heat stabilizer and preparation method thereof | 湖北工业大学 | 2017-05-31 | — | — | CN | claimed |
| CN-116056575-A | Substituted haloalkylsulfonanilide herbicides | FMC公司 | 2023-05-02 | — | — | CN | disclosed |