SCHEMBL3744451

SCHEMBL3744451

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.37
PGD P52209 1/20 0.32
MAPT P10636 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
SCHEMBL3742622 0.92 TDP1 (0.41) TDP1HSD17B10PGDMAPT
SCHEMBL3742354 0.89 TDP1 (0.42) TDP1HSD17B10MAPT
SCHEMBL3729351 0.88 TDP1 (0.38) TDP1PGD
Propylene Glycol SCHEMBL3738557 0.88 TDP1 (0.36) TDP1HSD17B10PGD
Cadaverine Tartrate SCHEMBL2962968 0.85 TDP1 (0.57) TDP1HSD17B10PGDMAPT
SCHEMBL3733291 0.83 TDP1 (0.42) TDP1HSD17B10PGD
SCHEMBL3734202 0.83 SLC1A3 (0.35) TDP1PGD
SCHEMBL3738499 0.83 TDP1 (0.50) TDP1HSD17B10MAPT
Cadaverine Tartrate SCHEMBL2956375 0.82 TDP1 (0.68) TDP1HSD17B10MAPT
Cadaverine Tartrate SCHEMBL10796393 0.82 TDP1 (0.41) TDP1HSD17B10PGDMAPT

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