SCHEMBL10180776

SCHEMBL10180776

O=C(Oc1ccc(F)c(F)c1F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
RIPK1 Q13546 1/20 0.33
EPHX2 P34913 1/20 0.33
BCHE P06276 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL10179556 0.85 CES2 (0.38) CES2CES1SCN8ASCN10AEPHX2
SCHEMBL24901031 0.84 CES2 (0.37) CES2CES1SCN8ASCN10AEPHX2
SCHEMBL10181532 0.83 CES2 (0.42) CES2CES1RIPK1BCHEELANE
SCHEMBL17552759 0.81 RIPK1 (0.48) CES2CES1RIPK1CYP4F2CYP4A11
SCHEMBL3141139 0.81 CES2 (0.34) CES2CES1EPHX2
SCHEMBL10181456 0.78 CES2 (0.42) CES2CES1RIPK1BCHE
SCHEMBL3827377 0.78 CES2 (0.45) CES2CES1SCN8ASCN10AEPHX2
SCHEMBL14659555 0.76 CES2 (0.43) CES2CES1SCN8ASCN10AEPHX2
SCHEMBL156400 0.76 CYP4F2 (0.51) CES2CES1CYP4F2CYP4A11ALDH1A1
SCHEMBL31621880 0.76 CYP4F2 (0.51) CES2CES1CYP4F2CYP4A11ALDH1A1

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