SCHEMBL9936746

SCHEMBL9936746

CCOCCOC(=O)C(C)OCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
THRB P10828 1/20 0.47
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL15788324 0.83 ALDH1A1 (0.34) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL9937652 0.83 TSHR (0.37) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL9936438 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL10636714 0.83 ALDH1A1 (0.48) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL445850 0.83 HCAR2 (0.38) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL9937141 0.82 HTT (0.36) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL9937051 0.82 TSHR (0.44) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL29098163 0.81 ALDH1A1 (0.35) ALDH1A1TSHRTHRBGAAHSD17B10
SCHEMBL4676252 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL10233231 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTHRBGAATDP1

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 7 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
CN-1375013-A Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids NOVO NORDISK AS (DK) 2002-10-16 CN disclosed