⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14851244 | 0.76 | — | — | |
| SCHEMBL1235054 | 0.76 | — | — | |
| SCHEMBL3180871 | 0.76 | — | — | |
| SCHEMBL3170665 | 0.76 | — | — | |
| SCHEMBL457325 | 0.75 | — | — | |
| SCHEMBL458264 | 0.75 | — | — | |
| SCHEMBL6138482 | 0.75 | — | — | |
| SCHEMBL1770297 | 0.75 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL34145 | 0.75 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL29665840 | 0.75 | — | — |
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-0167179-A1 | Alpha-substituted-alpha-fluoro-alpha-cyanoacetic acids and their derivatives | Daikin Kogyo Co., Ltd. (JP) | 1986-01-08 | — | — | EP | disclosed |