SCHEMBL11280253

SCHEMBL11280253

OC(Cl)(Cl)c1ccc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11286517 0.84 CES2 (0.37) CES2CES1
SCHEMBL8166545 0.80 CYP3A4 (0.41) CES2CES1TSHRMAPK1
SCHEMBL11255717 0.78 CES2 (0.34) CES2CES1TSHRMAPK1
SCHEMBL1201613 0.78 CES2 (0.39) CES2CES1
SCHEMBL2074175 0.78 CES2 (0.34) CES2CES1TSHRMAPK1
SCHEMBL14510530 0.76 CES2 (0.38) CES2CES1
SCHEMBL22409533 0.75 CES2 (0.36) CES2CES1
SCHEMBL206670 0.75 CES2 (0.41) CES2CES1
SCHEMBL24901421 0.74 MEN1 (0.39) CES2CES1TSHRMAPK1
SCHEMBL1808400 0.74 CES2 (0.37) CES2CES1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344960-A Combating insects and acarids with 3-(2-chloro-3,3,4,4,4-pentafluoro-1-butenyl)-2,2-dimethyl-cyclopropanecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0040742-A1 3-(Chloro-3,3,4,4,4-pentafluoro-1-butenyl)-2,2-dimethylcyclopropanecarboxylic acid esters, process for their preparation and their use in insecticides BAYER AG (DE) 1981-12-02 EP disclosed