SCHEMBL9937535

SCHEMBL9937535

CCOCCCOC(=O)C(C)OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
PLA2G2C Q5R387 1/20 0.36
ACACB O00763 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CES2 O00748 1/20 0.33
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9937051 0.90 TSHR (0.44) TSHRPLA2G2CACACBHTTALDH1A1
SCHEMBL9937180 0.88 PLA2G2C (0.39) TSHRPLA2G2CACACBHTTCES2
SCHEMBL9936819 0.85 ALDH1A1 (0.42) TSHRPLA2G2CACACBHTTALDH1A1
SCHEMBL9937294 0.82 HTT (0.39) TSHRPLA2G2CACACBHTTALDH1A1
SCHEMBL9937592 0.81 HTT (0.42) ACACBHTTALDH1A1HSD17B10GAA
SCHEMBL9937141 0.78 HTT (0.36) TSHRPLA2G2CACACBHTTALDH1A1
SCHEMBL9938198 0.78 PLA2G2C (0.38) TSHRPLA2G2CHTTCES2HSD17B10
SCHEMBL9937560 0.77 HTT (0.56) TSHRACACBHTTALDH1A1HSD17B10
SCHEMBL9938176 0.77 HTT (0.38) TSHRACACBHTT
SCHEMBL10630243 0.76 TSHR (0.41) TSHRALDH1A1HSD17B10THRBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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