SCHEMBL9937294

SCHEMBL9937294

CCCOC(=O)C(C)OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ACACB O00763 1/20 0.39
PLA2G2C Q5R387 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.30
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9936819 0.89 ALDH1A1 (0.42) HTTACACBPLA2G2CHCAR2ALDH1A1
SCHEMBL9937592 0.85 HTT (0.42) HTTACACBALDH1A1LMNA
SCHEMBL9937051 0.84 TSHR (0.44) HTTACACBPLA2G2CALDH1A1TSHR
SCHEMBL9937560 0.84 HTT (0.56) HTTACACBALDH1A1TSHR
SCHEMBL9938176 0.84 HTT (0.38) HTTACACBTSHR
SCHEMBL9937535 0.82 TSHR (0.36) HTTACACBPLA2G2CALDH1A1CES2
SCHEMBL3027521 0.80 HCAR2 (0.39) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL9937396 0.79 HTT (0.43) HTTACACBPLA2G2CALDH1A1TSHR
SCHEMBL445850 0.78 HCAR2 (0.38) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL9937540 0.78 HTT (0.39) HTTACACB

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