SCHEMBL7943963

SCHEMBL7943963

CC(O)COC(C)COC(C)CO.CCCCC(C)OC(C)CCCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL2266774 0.95 TDP1 (0.46) TDP1HSD17B10MAPTUSP2
SCHEMBL32678915 0.91 ALDH1A1 (0.36) TDP1ALDH1A1USP2
SCHEMBL32678917 0.91 ALDH1A1 (0.36) TDP1ALDH1A1USP2
SCHEMBL2270646 0.90 TDP1 (0.50) TDP1HSD17B10
SCHEMBL32678896 0.90 ALDH1A1 (0.38) TDP1ALDH1A1USP2
SCHEMBL32678892 0.90 ALDH1A1 (0.38) TDP1ALDH1A1USP2
SCHEMBL7940951 0.86 TDP1 (0.57) TDP1ALDH1A1HSD17B10MAPT
SCHEMBL7943965 0.86 TDP1 (0.57) TDP1ALDH1A1HSD17B10MAPT
Butane SCHEMBL2317610 0.84 TDP1 (0.59) TDP1HSD17B10MAPTUSP2
Hexane SCHEMBL7764657 0.84 TDP1 (0.53) TDP1HSD17B10MAPTUSP2

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
EP-1073685-A1 WATER COMPATIBLE ENERGY CURABLE COMPOSITIONS CONTAINING MALEIMIDE DERIVATIVES SUN CHEMICAL CORPORATION (US) 2001-02-07 EP disclosed
WO-1999048928-A1 WATER COMPATIBLE ENERGY CURABLE COMPOSITIONS CONTAINING MALEIMIDE DERIVATIVES SUN CHEMICAL CORPORATION (US) 1999-09-30 WO disclosed