SCHEMBL9937736

SCHEMBL9937736

COCCOC(=O)C(C)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK14 Q16539 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9937156 0.87 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL9937822 0.84 TSHR (0.41) TSHRALDH1A1KDM4EABCB11CYP3A4
Ammonia Solution, Strong SCHEMBL27732666 0.82 TSHR (0.39) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL4156487 0.81 POLB (0.43) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL17445920 0.79 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL31629763 0.79 TSHR (0.41) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL12093614 0.79 TSHR (0.38) TSHRALDH1A1POLBGAANPSR1
SCHEMBL2607867 0.79 HCAR2 (0.39) TSHRALDH1A1
SCHEMBL19857456 0.79 CYP4F2 (0.31) POLBGAANPSR1
SCHEMBL24360967 0.78 TSHR (0.37) TSHRALDH1A1

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