SCHEMBL9936944

SCHEMBL9936944

CCOCC(=O)OCCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.39
DGKA P23743 1/20 0.38
GAA P10253 3/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
NAAA Q02083 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 2/20 0.33
ABCB11 O95342 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
ALOX15 P16050 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL25145000 0.96 TSHR (0.47) ALDH1A1TSHRTHRBDGKAGAA
SCHEMBL29709224 0.90 ALDH1A1 (0.50) ALDH1A1TSHRTHRBDGKAGAA
SCHEMBL12050130 0.89 TSHR (0.42) ALDH1A1TSHRDGKAGAARAB9A
SCHEMBL780053 0.86 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAGAA
SCHEMBL9275566 0.86 TSHR (0.41) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL2963385 0.83 GAA (0.46) ALDH1A1TSHRTHRBGAAMGAM
SCHEMBL9888985 0.83 ALDH1A1 (0.56) ALDH1A1TSHRTHRBDGKAGAA
SCHEMBL445302 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTHRBDGKAGAA
SCHEMBL9936704 0.81 TSHR (0.43) ALDH1A1TSHRDGKAGAARAB9A
SCHEMBL18470076 0.81 ALDH1A1 (0.54) ALDH1A1TSHRTHRBDGKAGAA

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