SCHEMBL9938140

SCHEMBL9938140

CCCCOC(=O)COCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.43
PLA2G2C Q5R387 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
DGKA P23743 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
FAAH O00519 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 1/20 0.37
HTR2C P28335 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL9936685 0.89 CES2 (0.38) NAAAALDH1A1CES2PLA2G2CRAD52
SCHEMBL9936776 0.86 CES2 (0.38) NAAAALDH1A1CES2PLA2G2CRAD52
SCHEMBL21275447 0.82 ALDH1A1 (0.56) NAAAALDH1A1CES2RAD52NPSR1
SCHEMBL9937457 0.82 ALDH1A1 (0.47) ALDH1A1CES2PLA2G2CDGKAHPGD
SCHEMBL9937723 0.81 GAA (0.44) ALDH1A1NPSR1TSHR
SCHEMBL1055702 0.81 ALDH1A1 (0.54) NAAAALDH1A1CES2RAD52NPSR1
SCHEMBL9937397 0.80 HTT (0.35) ALDH1A1CES2PLA2G2CTDP1TSHR
SCHEMBL1053061 0.79 ALDH1A1 (0.52) NAAAALDH1A1CES2RAD52NPSR1
SCHEMBL445923 0.79 ALDH1A1 (0.52) NAAAALDH1A1CES2RAD52NPSR1
SCHEMBL7652075 0.79 ALDH1A1 (0.52) NAAAALDH1A1CES2RAD52NPSR1

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 5 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
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