⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9968799 | 0.82 | — | — | |
| SCHEMBL2613472 | 0.78 | — | — | |
| SCHEMBL18655981 | 0.76 | — | — | |
| SCHEMBL18655980 | 0.76 | — | — | |
| SCHEMBL10339662 | 0.76 | — | — | |
| SCHEMBL1470095 | 0.72 | — | — | |
| SCHEMBL23793740 | 0.71 | — | — | |
| SCHEMBL9560224 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL19504323 | 0.71 | — | — | |
| SCHEMBL101147 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750778-A | FLUOROALKANOIC ACIDS AND DERIVATIVES | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| EP-0468681-B1 | Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides | ZENECA LTD (GB) | 1995-05-24 | — | — | EP | disclosed |
| EP-0468681-A1 | Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides | ZENECA LIMITED (GB) | 1992-01-29 | — | — | EP | disclosed |