SCHEMBL16708652

SCHEMBL16708652

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 5/20 0.50
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
TBXA2R P21731 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
SCHEMBL16708651 0.94 THRB (0.61) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL16708632 0.94 THRB (0.52) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL16708644 0.92 TSHR (0.61) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL16708650 0.90 TSHR (0.65) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL15636 0.84 THRB (0.74) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL6142874 0.84 THRB (0.74) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL5027284 0.83 TSHR (0.46) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL5408265 0.82 THRB (0.67) THRBTSHRTDP1HSD17B10ALDH1A1
SCHEMBL303014 0.82 THRB (0.65) THRBTSHRTDP1HSD17B10ALDH1A1
Ethylene SCHEMBL619217 0.82 THRB (0.71) THRBTSHRTDP1HSD17B10ALDH1A1

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