SCHEMBL9937135

SCHEMBL9937135

CCOC(COCC(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.39
PPARA Q07869 11/20 0.39
PPARG P37231 8/20 0.39
PPARD Q03181 5/20 0.39
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL19408671 0.81 PPARA (0.41) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL8903595 0.81 PPARA (0.41) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL18822342 0.73 PLA2G2C (0.40) PLA2G2CHTTALDH1A1CYP2C9TSHR
SCHEMBL9937312 0.73 HTT (0.39) PLA2G2CPPARAPPARGPPARDHTT
SCHEMBL9063740 0.72 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL9937178 0.70 PLA2G2C (0.36) PLA2G2CHTT
SCHEMBL18822327 0.69 NOS3 (0.43) PLA2G2CHTTALDH1A1
SCHEMBL10768520 0.69
SCHEMBL9843858 0.69
SCHEMBL447796 0.69

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
US-20130260229-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 US disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed