⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1815617 | 0.80 | — | — | |
| SCHEMBL8979605 | 0.74 | — | — | |
| SCHEMBL10341835 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL22321408 | 0.66 | MGAM (0.33) | — | |
| SCHEMBL1051668 | 0.64 | — | — | |
| SCHEMBL7201365 | 0.64 | CES2 (0.44) | — | |
| SCHEMBL7200560 | 0.64 | CES2 (0.32) | — | |
| SCHEMBL9155266 | 0.62 | — | — | |
| SCHEMBL7200065 | 0.58 | PDE2A (0.40) | — | |
| SCHEMBL1383 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0498724-B1 | Esters of 3-(3,3,3-trifluoro-2-chloropropenyl)-2,2-dimethyl-cyclopropanecarboxylic acid, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1996-05-15 | — | — | EP | disclosed |
| EP-0498724-A1 | Esters of 3-(3,3,3-trifluoro-2-chloropropenyl)-2,2-dimethyl-cyclopropanecarboxylic acid, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1992-08-12 | — | — | EP | disclosed |