SCHEMBL9937312

SCHEMBL9937312

CCOC(OCC(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
PPARG P37231 3/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
ACACB O00763 1/20 0.33
FFAR1 O14842 3/20 0.31
PLA2G2C Q5R387 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1702793 0.82 THRB (0.42) PPARAALDH1A1
SCHEMBL7077340 0.81 HTT (0.56) HTTACACBPLA2G2CALDH1A1
SCHEMBL27895981 0.79 THRB (0.40) PPARAALDH1A1
SCHEMBL28762234 0.79 THRB (0.40) PPARAALDH1A1
SCHEMBL27879272 0.79 THRB (0.40) PPARAALDH1A1
SCHEMBL4638218 0.74 HTT (0.41) HTTACACBALDH1A1
SCHEMBL4638223 0.74 HTT (0.41) HTTACACBALDH1A1
SCHEMBL9937135 0.73 PLA2G2C (0.39) HTTPPARGPPARDPPARAPLA2G2C
SCHEMBL21618226 0.73 HTT (0.44) HTTALDH1A1
SCHEMBL25717535 0.72 THRB (0.61) HTT

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