SCHEMBL5167370

SCHEMBL5167370

CCOC(C)OCC.O=Cc1c(F)c(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL5170531 0.87 LMNA (0.50) LMNA
SCHEMBL7563683 0.85 LMNA (0.48) LMNA
SCHEMBL5169305 0.81 LMNA (0.40) LMNAALDH1A1
SCHEMBL5167620 0.80 ALDH1A1 (0.37) LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL441131 0.77 CA1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7563021 0.70 LMNA (0.43) LMNAALDH1A1CYP2C9CYP2C19PTGS1
Water SCHEMBL27863122 0.70 LMNA (0.34) LMNA
SCHEMBL24026496 0.69 CYP1A2 (0.41) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19583184 0.69 CYP1A2 (0.41) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
Ethylene SCHEMBL10561761 0.69 LMNA (0.38) LMNAALDH1A1CYP3A4CYP2C19

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1182184-B1 PROCESS FOR PRODUCING TETRAFLUORO BENZENECARBALDEHYDES AND TETRAFLUORO BENZENEMETHANOLS SHOWA DENKO KK (JP) 2007-04-18 EP disclosed
US-6624336-B1 Acetalization of tetrafluorobenzonitriles using alcohols, in the presence of mineral acids and metal catalysts to form chemical intermediates for nontoxic insecticides SHOWA DENKO K.K. (JP) 2003-09-23 US disclosed
EP-1182184-A1 PROCESS FOR PRODUCING TETRAFLUORO BENZENEMETHANOLS Showa Denko K K (JP) 2002-02-27 EP disclosed