⚠ 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 SCHEMBL27568719 | 0.88 | — | — | |
| Acrylonitrile SCHEMBL27416277 | 0.81 | — | — | |
| SCHEMBL181388 | 0.80 | — | — | |
| SCHEMBL7524186 | 0.80 | — | — | |
| SCHEMBL7517529 | 0.80 | — | — | |
| Acrylonitrile SCHEMBL28138039 | 0.77 | — | — | |
| Acrylonitrile SCHEMBL29025626 | 0.75 | — | — | |
| 1,1-Dichloroethene SCHEMBL10978330 | 0.74 | ALDH1A1 (0.50) | — | |
| Acrylonitrile SCHEMBL8154685 | 0.73 | — | — | |
| Acrylonitrile SCHEMBL1330109 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0666321-B1 | Process for production of amide compounds using microorganism | SUMITOMO CHEMICAL CO (JP) | 2000-05-24 | — | — | EP | disclosed |