SCHEMBL3733291

SCHEMBL3733291

CC(O)COC(C)CO.CCCOC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.33
PGD P52209 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
SCHEMBL3734544 0.92 TDP1 (0.37) TDP1
SCHEMBL3734200 0.90 TDP1 (0.38) TDP1
SCHEMBL3731295 0.89 TDP1 (0.35) TDP1PGD
Propylene Glycol SCHEMBL3731200 0.89 TDP1 (0.39) TDP1HSD17B10PGD
SCHEMBL3742010 0.85 TDP1 (0.36) TDP1PGD
SCHEMBL3744451 0.83 TDP1 (0.46) TDP1HSD17B10PGD
SCHEMBL6670987 0.83 TDP1 (0.48) TDP1PGD
SCHEMBL3742157 0.83 TDP1 (0.34) TDP1PGD
SCHEMBL3731765 0.82 TDP1 (0.45) TDP1HSD17B10
Ethylene Glycol SCHEMBL3730786 0.81 TDP1 (0.43) TDP1PGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed