SCHEMBL10039306

SCHEMBL10039306

C=C(CO)OCC(C)OCC(C)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7524271 0.79 TDP1 (0.42) TDP1TSHR
SCHEMBL1155367 0.79 TDP1 (0.48) TDP1TSHRMAPK1HSD17B10
SCHEMBL7524092 0.78 TDP1 (0.41) TDP1TSHR
SCHEMBL2165034 0.78 TSHR (0.43) TDP1TSHR
SCHEMBL7530100 0.78 TDP1 (0.41) TDP1TSHR
SCHEMBL1155199 0.78 TDP1 (0.47) TDP1TSHRMAPK1HSD17B10
SCHEMBL36340 0.73 TSHR (0.66) TDP1TSHR
SCHEMBL6140699 0.72 TDP1 (0.45) TDP1TSHRMAPK1HSD17B10
Ethylene SCHEMBL16178491 0.72 TDP1 (0.50) TDP1MAPK1HSD17B10
Hydrazine SCHEMBL27790341 0.72 TDP1 (0.50) TDP1MAPK1HSD17B10

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
WO-2012035218-A1 ARYL DIAZONIUM SALT AND USE IN AN ELECTROLYTIC SOLUTION OF AN ELECTROCHEMICAL GENERATOR COMMISSARIAT À L' ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-03-22 WO disclosed