SCHEMBL7759294

SCHEMBL7759294

C=CCOC(=O)C(=O)OC(C)CC(C)(C)OOC(C)(C)CC(C)OC(=O)C(=O)OCC=C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.32
CYP3A4 P08684 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
SCHEMBL7755964 0.96 TDP1 (0.33) TDP1
SCHEMBL7756862 0.96 TDP1 (0.33) TDP1
SCHEMBL7792592 0.89 TDP1 (0.31) TDP1
SCHEMBL7756933 0.80 MMP8 (0.37) TSHR
SCHEMBL7753387 0.78 TSHR (0.32) TDP1TSHR
SCHEMBL5428036 0.77 TDP1 (0.44) TDP1TSHRCYP3A4
SCHEMBL7753363 0.76
SCHEMBL7753282 0.76 MMP8 (0.34)
SCHEMBL7758027 0.76 HTT (0.34) TSHR
SCHEMBL8619029 0.75 TSHR (0.41) TSHRCYP3A4

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-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed