SCHEMBL9936838

SCHEMBL9936838

CCOCCOC(=O)C(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
THRB P10828 2/20 0.44
HSD17B10 Q99714 1/20 0.35
CES2 O00748 2/20 0.34
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 4/20 0.31
CES1 P23141 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGKA P23743 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
SCHEMBL3868205 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10GAA
SCHEMBL9936988 0.80 TSHR (0.37) ALDH1A1TSHR
SCHEMBL9936848 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL9937353 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL17770848 0.77 NAAA (0.52) ALDH1A1TSHRCES2FAAH
SCHEMBL28423714 0.77 TSHR (0.41) TSHR
SCHEMBL19857466 0.75 HTT (0.32)
SCHEMBL9937107 0.74 ALDH1A1 (0.56) ALDH1A1TSHRTHRBHSD17B10CES2
SCHEMBL6328626 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10DGKA
SCHEMBL6322471 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10DGKA

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 6 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
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN 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