SCHEMBL3731850

SCHEMBL3731850

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 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
SCHEMBL3734340 0.89 TDP1 (0.43) TDP1
SCHEMBL3736255 0.87 TDP1 (0.34) TDP1
SCHEMBL3728739 0.87 TDP1 (0.38) TDP1
Propylene Glycol SCHEMBL3728972 0.86 TDP1 (0.36) TDP1
SCHEMBL3728905 0.84 TDP1 (0.39) TDP1
SCHEMBL3736257 0.84 TDP1 (0.36) TDP1
Citric Acid SCHEMBL424594 0.79 ALDH1A1 (0.48) TDP1
Propionic Acid SCHEMBL1464843 0.78 TDP1 (0.46) TDP1MAPK1
Propionic Acid SCHEMBL181620 0.78 TDP1 (0.46) TDP1MAPK1
SCHEMBL4329618 0.78 CYP2D6 (0.42) TDP1

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