SCHEMBL10180337

SCHEMBL10180337

O=C(Oc1cc(F)c(F)c(F)c1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
FFAR1 O14842 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL21503687 0.82 ELANE (0.48) CES2CES1CA1CA2CA4
SCHEMBL10179527 0.81 CYP4F2 (0.42) CES2CES1CA1CYP4F2CYP4A11
SCHEMBL10181517 0.80 CES2 (0.41) CES2CES1MAOBNPC1RAB9A
SCHEMBL27745651 0.79 CES2 (0.38) CES2CES1CA1CA2CA4
SCHEMBL21810571 0.78 CES2 (0.48) CES2CES1CA1CA2CA4
SCHEMBL10180065 0.76 CES2 (0.34) CES2CES1CA1CA2CA4
SCHEMBL10180794 0.75 CES2 (0.42) CES2CES1CA1CA2CA4
SCHEMBL28181342 0.74 MEN1 (0.50) CES2CES1CA1CA2CA4
SCHEMBL823692 0.74 CYP4F2 (0.52) CES2CES1MAOBCYP4F2CYP4A11
SCHEMBL15763922 0.72 CES2 (0.43) CES2CES1CA1CA2CA4

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