⚠ 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL28102740 | 0.85 | DNM1 (0.55) | — | |
| Acrylonitrile SCHEMBL8945522 | 0.84 | — | — | |
| Acrylonitrile SCHEMBL27458497 | 0.83 | DNM1 (0.59) | — | |
| Dodecylamine SCHEMBL9424876 | 0.83 | DNM1 (0.59) | — | |
| Acrylonitrile SCHEMBL28318653 | 0.81 | — | — | |
| Acrylonitrile SCHEMBL8149208 | 0.81 | ALDH1A1 (0.69) | — | |
| Acrylonitrile SCHEMBL8765475 | 0.81 | — | — | |
| Acrylonitrile SCHEMBL11475526 | 0.79 | — | — | |
| Acrylonitrile SCHEMBL25225022 | 0.77 | — | — | |
| Acrylonitrile SCHEMBL5881025 | 0.77 | — | — |
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-108779062-A | Polyetheramine based on 1,3- glycol | 巴斯夫欧洲公司 | 2018-11-09 | — | — | CN | disclosed |