SCHEMBL9936304

SCHEMBL9936304

CC(=O)OC(C)COCC(F)(F)F.CC(=O)OCCOCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PLA2G2C Q5R387 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
TBXA2R P21731 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.30
PGR P06401 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNB4 P30926 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
SCHEMBL28051942 0.89 TSHR (0.42) TSHRALDH1A1PLA2G2CTDP1CHRM2
SCHEMBL6730205 0.83 ALDH1A1 (0.56) TSHRALDH1A1PLA2G2CCHRM2CHRM4
SCHEMBL14941122 0.78 TSHR (0.66) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL21357986 0.76 ALDH1A1 (0.48) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL17222456 0.74 TSHR (0.46) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL9938193 0.73 HTT (0.36) PLA2G2CHTT
SCHEMBL9937236 0.73 HTT (0.36) PLA2G2CHTT
SCHEMBL19714337 0.73 TSHR (0.63) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL22735056 0.72 HTT (0.38) TSHRALDH1A1PLA2G2CHTT
SCHEMBL9937083 0.72 PLA2G2C (0.36) ALDH1A1PLA2G2CHTT

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