SCHEMBL19795367

SCHEMBL19795367

C=COC(=O)CCOCCC(=O)OC=C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 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
SCHEMBL13111366 0.88 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10748288 0.86 TSHR (0.44) TSHRALDH1A1CYP3A4
SCHEMBL15241 0.84 TSHR (0.38) TSHRALDH1A1
SCHEMBL8396134 0.83 MAPT (0.31) TSHR
SCHEMBL19499979 0.81
SCHEMBL28998887 0.80 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15336 0.79 TSHR (0.47) TSHRALDH1A1CYP3A4
SCHEMBL177731 0.79 TSHR (0.43) TSHRALDH1A1CYP3A4
SCHEMBL328720 0.78 ALDH1A1 (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8427568 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10

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-20180026304-A1 NON-AQUEOUS ELECTROLYTE, AND NON-AQUEOUS ELECTROLYTE SECONDARY CELL ADEKA CORPORATION (JP) 2018-01-25 US disclosed