SCHEMBL10180346

SCHEMBL10180346

O=C(Oc1ccc(F)c(F)c1F)C(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
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL10180146 0.83 CES2 (0.42) CES2CES1BCHEPPARGPPARA
SCHEMBL10180065 0.81 CES2 (0.34) CES2CES1KDM4ETSHRNPSR1
SCHEMBL1527382 0.80 PDE4A (0.38) CES2CES1CYP4F2CYP4A11ALDH1A1
SCHEMBL10180371 0.78 CES2 (0.42) CES2CES1L3MBTL1BCHE
SCHEMBL15763955 0.78 CES2 (0.42) CES2CES1PPARGPPARACYP4F2
SCHEMBL3827377 0.78 CES2 (0.45) CES2CES1BCHEPPARGPPARA
SCHEMBL14659555 0.76 CES2 (0.43) CES2CES1BCHECYP4F2CYP4A11
SCHEMBL31621880 0.76 CYP4F2 (0.51) CES2CES1KDM4ETSHRTDP1
SCHEMBL156400 0.76 CYP4F2 (0.51) CES2CES1KDM4ETSHRTDP1
SCHEMBL10179544 0.76 CES2 (0.42) CES2CES1KDM4ETSHRNPSR1

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
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