SCHEMBL4452338

SCHEMBL4452338

FC(F)=C(F)c1cccc(C(F)=C(F)F)c1C(F)=C(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL726749 0.79 ALDH1A1 (0.38) CES2CES1
SCHEMBL21218733 0.78 CES2 (0.41) CES2BCHECES1
SCHEMBL21218773 0.76 TRPA1 (0.33) CES2BCHECES1
SCHEMBL22540 0.72 CES2 (0.58) CES2BCHECES1
SCHEMBL11067875 0.70
SCHEMBL6437528 0.70 NR4A1 (0.54) BCHE
SCHEMBL31749371 0.70 NR4A1 (0.54) BCHE
SCHEMBL970209 0.70 CES2 (0.54) CES2BCHECES1
SCHEMBL28457557 0.70 HPGD (0.48)
SCHEMBL5839352 0.69 CTSL (0.37) CES2BCHECES1

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
US-20090023038-A1 LIQUID MATERIALS FOR USE IN ELECTROCHEMICAL CELLS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-01-22 US disclosed
US-7435495-B2 Liquid materials for use in electrochemical cells THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-14 US disclosed
EP-1751814-A2 LIQUID MATERIALS FOR USE IN ELECTROCHEMICAL CELLS The University of North Carolina at Chapel Hill (US) 2007-02-14 EP disclosed
US-20060083971-A1 Liquid materials for use in electrochemical cells THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL NORTH CAROLINA STATE UNIVERSITY 2006-04-20 US disclosed
WO-2005086632-A2 LIQUID MATERIALS FOR USE IN ELECTROCHEMICAL CELLS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 WO disclosed