SCHEMBL10179743

SCHEMBL10179743

O=C(Oc1cc(F)cc(F)c1F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.42
CES1 P23141 5/20 0.42
RIPK1 Q13546 7/20 0.35
EPHX2 P34913 1/20 0.33
ERN1 O75460 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CTSB P07858 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL10179988 0.86 CES2 (0.40) CES2CES1RIPK1EPHX2ERN1
SCHEMBL3141139 0.83 CES2 (0.34) CES2CES1EPHX2CA1CA2
SCHEMBL10181554 0.79 CES2 (0.38) CES2CES1RIPK1ERN1GAA
SCHEMBL10179777 0.78 TSHR (0.47) CES2CES1EPHX2KMT2A
SCHEMBL10180573 0.78 CES2 (0.42) CES2CES1RIPK1EPHX2KMT2A
SCHEMBL1998350 0.77 CYP4F2 (0.46) CES2CES1RIPK1GAA
SCHEMBL3425384 0.76 RIPK1 (0.38) CES2CES1RIPK1
SCHEMBL15763921 0.76 CES2 (0.44) CES2CES1RIPK1ERN1CA1
SCHEMBL10181736 0.75 CES2 (0.41) CES2CES1RIPK1CA1CA2
SCHEMBL319016 0.75 CA1 (0.39) CES2CES1RIPK1CA1CA2

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