⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4858291 | 0.97 | — | — | |
| SCHEMBL9797478 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9797711 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9797972 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9797595 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9798200 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9797510 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9798259 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9797560 | 0.97 | CES2 (0.48) | — | |
| SCHEMBL9797629 | 0.97 | CES2 (0.48) | — |
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-0410380-A2 | Novel process for the synthesis of 2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |