SCHEMBL9937439

SCHEMBL9937439

COCC(=O)OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FABP7 O15540 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 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
SCHEMBL9936671 0.84 HTT (0.31) HTT
SCHEMBL9937287 0.82 HTT (0.35) HTTALDH1A1TSHR
SCHEMBL5793031 0.82 HTT (0.39) HTTSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL13445491 0.81 MAPK1 (0.34) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL9937986 0.81
SCHEMBL9937614 0.79 HTT (0.48) HTTALDH1A1MEN1TSHRKMT2A
SCHEMBL13153236 0.78 CA2 (0.37) HTTSMN1; SMN2RAB9A
SCHEMBL10011536 0.78 HTT (0.43) HTTALDH1A1MEN1TSHRKMT2A
SCHEMBL9936589 0.78 HTT (0.36) HTTTSHR
SCHEMBL12292084 0.77 HTT (0.46) HTTSMN1; SMN2ALDH1A1MEN1TSHR

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 4 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
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