SCHEMBL10180573

SCHEMBL10180573

O=C(Oc1cc(F)ccc1F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPHX2 P34913 1/20 0.36
RIPK1 Q13546 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10180642 0.86 CES2 (0.40) CES2CES1CYP4F2CYP4A11CA3
SCHEMBL10179777 0.85 TSHR (0.47) CES2CES1EPHX2MEN1MAPT
SCHEMBL17552764 0.82 RIPK1 (0.50) CYP4F2CYP4A11RIPK1
SCHEMBL2651599 0.81 FAAH (0.44) CES2CES1MAPTKMT2AL3MBTL1
SCHEMBL10181509 0.79 EPHX2 (0.35) CES2CES1CYP4F2CYP4A11EPHX2
SCHEMBL10179743 0.78 CES2 (0.42) CES2CES1EPHX2RIPK1KMT2A
SCHEMBL28015642 0.77 CES2 (0.45) CES2CES1CYP4F2CYP4A11CA3
SCHEMBL1991907 0.77 CYP4F2 (0.64) CES2CES1CYP4F2CYP4A11CA3
SCHEMBL28404237 0.76 ELANE (0.47) CES1MAPTKMT2AKDM4ETSHR
SCHEMBL15763924 0.76 CYP4F2 (0.45) CES2CES1CYP4F2CYP4A11CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed