SCHEMBL16708646

SCHEMBL16708646

C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
TSHR P16473 6/20 0.44
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL16708649 0.94 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16708625 0.89 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16708628 0.87 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL303139 0.86 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16708638 0.86 TSHR (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7712429 0.86 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15024605 0.86 THRB (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4950550 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL672102 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5959895 0.84 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150132639-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed