⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30730720 | 0.97 | — | — | |
| SCHEMBL323205 | 0.97 | — | — | |
| SCHEMBL134555 | 0.97 | — | — | |
| SCHEMBL310632 | 0.97 | — | — | |
| SCHEMBL18803450 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL18334389 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7045331 | 0.94 | — | — | |
| SCHEMBL30302615 | 0.79 | MAPT (0.39) | — | |
| SCHEMBL28959510 | 0.76 | MAPT (0.40) | — | |
| SCHEMBL1707222 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1312790-A | Alpha-fluoro alkynoic acids with anticonvulsant activity | AMERICAN BIOGENETIC SCIENCES (DE) | 2001-09-12 | — | — | CN | disclosed |
| US-5750778-A | FLUOROALKANOIC ACIDS AND DERIVATIVES | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| EP-0468681-A1 | Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides | ZENECA LIMITED (GB) | 1992-01-29 | — | — | EP | disclosed |