SCHEMBL9937397

SCHEMBL9937397

COCCOC(=O)COCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PLA2G2C Q5R387 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CES2 O00748 1/20 0.30
ABCB11 O95342 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 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
SCHEMBL5793031 0.85 HTT (0.39) HTTTSHRCYP3A4NPC1RAB9A
SCHEMBL9937287 0.85 HTT (0.35) HTTTSHRALDH1A1PLA2G2CCES2
SCHEMBL9937457 0.84 ALDH1A1 (0.47) HTTTSHRKMT2AALDH1A1PLA2G2C
SCHEMBL9936685 0.83 CES2 (0.38) HTTTSHRALDH1A1PLA2G2CNPC1
SCHEMBL12050130 0.82 TSHR (0.42) TSHRCYP3A4CYP2C19ALDH1A1RAB9A
SCHEMBL9936943 0.80 ALDH1A1 (0.42) HTTTSHRKMT2AALDH1A1PLA2G2C
SCHEMBL9938140 0.80 NAAA (0.44) TSHRALDH1A1PLA2G2CTDP1CES2
SCHEMBL9937614 0.80 HTT (0.48) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL9275566 0.80 TSHR (0.41) TSHRCYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL24823460 0.79 CES2 (0.34) HTTCYP3A4MEN1CYP2C19KMT2A

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