SCHEMBL9937239

SCHEMBL9937239

COC(C)C(=O)OCCOCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
THRB P10828 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL9938198 0.90 PLA2G2C (0.38) HTTPLA2G2CTSHR
SCHEMBL9937141 0.83 HTT (0.36) HTTTHRBPLA2G2CALDH1A1TSHR
SCHEMBL9938336 0.83 HTT (0.56) HTTALDH1A1TSHR
SCHEMBL22735045 0.79 HTT (0.42) HTTTHRBPLA2G2CALDH1A1TSHR
SCHEMBL9936438 0.77 ALDH1A1 (0.54) THRBALDH1A1TSHR
SCHEMBL9936878 0.77 HTT (0.43) HTTTHRBPLA2G2CALDH1A1TSHR
SCHEMBL13313896 0.77 TSHR (0.37) THRBALDH1A1TSHR
SCHEMBL9938193 0.76 HTT (0.36) HTTPLA2G2C
SCHEMBL9937051 0.76 TSHR (0.44) HTTTHRBPLA2G2CALDH1A1TSHR
SCHEMBL9938176 0.75 HTT (0.38) HTTTSHR

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 6 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
CN-103262329-B Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-10 CN 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
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN 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