SCHEMBL16708632

SCHEMBL16708632

C=C(C)C(=O)OCCOC(=O)OCCOC(=O)C(=C)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 5/20 0.46
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL16708652 0.94 THRB (0.57) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL16708651 0.89 THRB (0.61) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL16710954 0.87 THRB (0.38) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL16708644 0.87 TSHR (0.61) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL5435399 0.86 THRB (0.65) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL16708650 0.85 TSHR (0.65) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL8510669 0.80 THRB (0.70) THRBTSHRALDH1A1TDP1HSD17B10
SCHEMBL8501236 0.80 THRB (0.70) THRBTSHRALDH1A1TDP1HSD17B10
Ethylene Glycol SCHEMBL7267519 0.80 THRB (0.59) THRBTSHRALDH1A1TDP1POLB
SCHEMBL15636 0.79 THRB (0.74) THRBTSHRALDH1A1TDP1HSD17B10

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