⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL28235803 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL28130062 | 0.82 | ALDH1A1 (0.64) | — | |
| Acrylonitrile SCHEMBL6208917 | 0.82 | — | — | |
| SCHEMBL25008 | 0.82 | — | — | |
| Water SCHEMBL2192190 | 0.82 | — | — | |
| SCHEMBL30498455 | 0.82 | — | — | |
| SCHEMBL27982493 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28029274 | 0.78 | — | — | |
| SCHEMBL29172255 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL27678608 | 0.78 | — | — |
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-107778198-A | The processing method of the acrylonitrile of acrylamide is prepared suitable for bioanalysis | 中国石油化工股份有限公司 | 2018-03-09 | — | — | CN | disclosed |