SCHEMBL7757973

SCHEMBL7757973

CCOC(=O)CCC(=O)OOC(C)(C)CC(C)OC(=O)C(=O)Cl

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL7753358 0.88 CYP1A2 (0.32) CYP1A2
SCHEMBL7753311 0.84
SCHEMBL7782912 0.81
SCHEMBL7753363 0.80
SCHEMBL7788687 0.76 MMP8 (0.34)
SCHEMBL7757415 0.75
SCHEMBL7788680 0.74 CA2 (0.43)
SCHEMBL7756933 0.74 MMP8 (0.37)
SCHEMBL11423850 0.73 ALDH1A1 (0.35)
SCHEMBL7782908 0.73

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