SCHEMBL8940120

SCHEMBL8940120

C=COCC(C)OCC(C)O.C=COCC(C)OCC(C)OCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL14117998 1.00 TDP1 (0.47) TDP1MAPK1HSD17B10
SCHEMBL32669045 1.00 TDP1 (0.47) TDP1MAPK1HSD17B10
SCHEMBL1155661 1.00 TDP1 (0.47) TDP1MAPK1HSD17B10
SCHEMBL8946890 1.00 TDP1 (0.47) TDP1MAPK1HSD17B10
SCHEMBL608712 0.98 TDP1 (0.48) TDP1MAPK1HSD17B10
SCHEMBL108379 0.82
SCHEMBL923838 0.81
SCHEMBL812338 0.81
SCHEMBL17133765 0.81
SCHEMBL21044868 0.81

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-5514288-A Method of pretreating fabrics to impart soil release properties thereto using polymers of vinyl ethers BASF CORPORATION (US) 1996-05-07 US disclosed