⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17480082 | 0.77 | TAS1R3 (0.31) | — | |
| SCHEMBL8979726 | 0.74 | — | — | |
| SCHEMBL18012679 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL926802 | 0.69 | TAS1R3 (0.35) | — | |
| SCHEMBL107339 | 0.69 | HSD17B10 (0.36) | — | |
| SCHEMBL8979598 | 0.69 | — | — | |
| SCHEMBL9561822 | 0.68 | SLC6A2 (0.36) | — | |
| SCHEMBL24460005 | 0.67 | — | — | |
| SCHEMBL25527063 | 0.66 | MEN1 (0.33) | — | |
| Bromide SCHEMBL9813323 | 0.65 | TAS1R3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| JP-4352746-A | — | — | None | — | — | JP | disclosed |
| JP-H04352746-A | NEW 3-(3,3,3-TRIFLUORO-2-CHLOROPROPENYL)-2,2-DIMETHYLCYCLOPROPANE CARBOXYLIC ACID ESTER, ITS PRODUCTION AND USE AS EXTERMINATOR FOR HARMFUL INSECT | ROUSSEL UCLAF | 1992-12-07 | — | — | JP | disclosed |