SCHEMBL9936685

SCHEMBL9936685

CCCOC(=O)COCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
HTT P42858 1/20 0.36
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
ALDH1A1 P00352 6/20 0.34
HCAR2 Q8TDS4 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
FAAH O00519 1/20 0.31
GLA P06280 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9938140 0.89 NAAA (0.44) CES2PLA2G2CNAAADGKAALDH1A1
SCHEMBL9937457 0.85 ALDH1A1 (0.47) CES2PLA2G2CHTTDGKAALDH1A1
SCHEMBL9937723 0.84 GAA (0.44) HTTALDH1A1NPSR1LMNAGLA
SCHEMBL9937397 0.83 HTT (0.35) CES2PLA2G2CHTTALDH1A1NPC1
SCHEMBL9936776 0.82 CES2 (0.38) CES2PLA2G2CHTTNAAAALDH1A1
SCHEMBL9936943 0.81 ALDH1A1 (0.42) CES2PLA2G2CHTTDGKAALDH1A1
SCHEMBL9937614 0.81 HTT (0.48) HTTALDH1A1TSHR
SCHEMBL14199950 0.81 NAAA (0.43) CES2NAAADGKAALDH1A1HCAR2
SCHEMBL1058897 0.79 NAAA (0.41) CES2NAAADGKAALDH1A1HCAR2
SCHEMBL13319073 0.79 NAAA (0.41) CES2NAAADGKAALDH1A1HCAR2

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