SCHEMBL3733710

SCHEMBL3733710

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.33
PLA2G4B P0C869 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 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
SCHEMBL3733786 0.97 TDP1 (0.44) TDP1MAPTHSD17B10PLA2G4BCYP4F2
SCHEMBL3738499 0.88 TDP1 (0.50) TDP1MAPTHSD17B10USP2
Propionic Acid SCHEMBL8389570 0.87 TDP1 (0.46) TDP1MAPTHSD17B10PLA2G4BKDM4E
SCHEMBL3729352 0.85 TDP1 (0.42) TDP1
SCHEMBL3742354 0.85 TDP1 (0.42) TDP1MAPTHSD17B10PLA2G4B
Propylene Glycol SCHEMBL3734585 0.85 GPR84 (0.37) TDP1MAPTPLA2G4BCYP4F2CYP4A11
SCHEMBL3733695 0.84 TDP1 (0.41) TDP1MAPTUSP2GPR84
SCHEMBL28365328 0.83 TDP1 (0.51) TDP1MAPTHSD17B10USP2
SCHEMBL3742622 0.82 TDP1 (0.41) TDP1MAPTHSD17B10PLA2G4BKDM4E
SCHEMBL3734030 0.82 TDP1 (0.47) TDP1MAPTHSD17B10PLA2G4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101044221-B Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEM IND 2012-06-20 CN disclosed
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
CN-101044221-A Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEM IND (JP) 2007-09-26 CN disclosed