SCHEMBL4455706

SCHEMBL4455706

CC(O)COC(C)C(O)CCC(O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17898232 0.82 TDP1 (0.36) TDP1MAPK1HSD17B10
SCHEMBL6437780 0.82 TDP1 (0.45) TDP1MAPK1HSD17B10
SCHEMBL622449 0.78 TDP1 (0.42) TDP1MAPK1HSD17B10
SCHEMBL4142740 0.78 TDP1 (0.34) TDP1MAPK1HSD17B10
SCHEMBL8718578 0.77 TRPV1 (0.35) TDP1MAPK1HSD17B10
SCHEMBL16508366 0.76 TDP1 (0.43) TDP1MAPK1HSD17B10
SCHEMBL19263925 0.76 TDP1 (0.43) TDP1MAPK1HSD17B10
SCHEMBL1959442 0.76 TDP1 (0.43) TDP1MAPK1HSD17B10
SCHEMBL1122050 0.75 SPHK1 (0.52) TDP1
SCHEMBL1156854 0.75 TDP1 (0.53) TDP1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940948-A4 WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME NIPPON CATALYTIC CHEM IND (JP) 2009-05-27 EP disclosed
EP-1940948-A1 WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME Nippon Shokubai Co., Ltd. (JP) 2008-07-09 EP disclosed
WO-2007037522-A1 WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME NIPPON SHOKUBAI CO., LTD. (JP) 2007-04-05 WO disclosed