SCHEMBL4559422

SCHEMBL4559422

COCCOCC(C)OCC(C)OC(=O)CCC(=O)O.[Zn]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL4492042 0.90 EGLN1 (0.35) ALDH1A1KDM6BKDM5CEGLN1PHF8
SCHEMBL4477589 0.90 EGLN1 (0.35) ALDH1A1KDM6BKDM5CEGLN1PHF8
SCHEMBL3019540 0.85 TDP1 (0.51) TDP1ALDH1A1KDM6BKDM5CEGLN1
Zinc Ion SCHEMBL3796784 0.84 TDP1 (0.34) TDP1
SCHEMBL3799285 0.83 EGLN1 (0.39) ALDH1A1KDM6BKDM5CEGLN1PHF8
SCHEMBL3021918 0.82 KDM6B (0.34) TDP1KDM6BKDM5CEGLN1PHF8
SCHEMBL3024907 0.82 TDP1 (0.35) TDP1KDM6BKDM5CEGLN1PHF8
SCHEMBL3031454 0.80 EGLN1 (0.37) KDM6BKDM5CEGLN1PHF8KDM2A
SCHEMBL15470670 0.79 EGLN1 (0.42) KDM6BKDM5CEGLN1PHF8KDM2A
SCHEMBL94224 0.78 TDP1 (0.33) TDP1ALDH1A1KDM5CEGLN1PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236277-B2 Process for producing nanoparticles 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-08-07 US claimed
EP-2104714-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M Innovative Properties Company (US) 2009-09-30 EP claimed
WO-2008079800-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO claimed
EP-2104714-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M Innovative Properties Company (US) 2009-09-30 EP disclosed
WO-2008079800-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO disclosed