SCHEMBL9938121

SCHEMBL9938121

CCOCCOC(=O)CF

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 1/20 0.58
THRB P10828 1/20 0.50
DGKA P23743 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
TRPA1 O75762 1/20 0.34
NAAA Q02083 1/20 0.34
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL9937648 0.87 ALDH1A1 (0.43) ALDH1A1TSHRTHRBDGKAMGAM
SCHEMBL9937256 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL28280758 0.83 DGKA (0.39) ALDH1A1TSHRDGKAHSD17B10MGAM
SCHEMBL1301905 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL9598368 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTHRBDGKAHSD17B10
Ether SCHEMBL28223398 0.81 GAA (0.52) ALDH1A1TSHRTHRBHSD17B10MGAM
SCHEMBL106760 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL181390 0.79 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL2303872 0.79 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAHSD17B10
SCHEMBL8919486 0.79 ALDH1A1 (0.60) ALDH1A1TSHRTHRBDGKAHSD17B10

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 4 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
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
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