SCHEMBL7792592

SCHEMBL7792592

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL7759294 0.89 TDP1 (0.36) TDP1
SCHEMBL7756862 0.85 TDP1 (0.33) TDP1
SCHEMBL7755964 0.85 TDP1 (0.33) TDP1
SCHEMBL8332333 0.83 MMP8 (0.32)
SCHEMBL7787840 0.82
SCHEMBL7792583 0.80
SCHEMBL7791435 0.79 ALDH1A1 (0.33)
SCHEMBL7782925 0.76 ALDH1A1 (0.40) TDP1
SCHEMBL7788687 0.76 MMP8 (0.34)
SCHEMBL7757443 0.75

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-0850928-B1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ATOFINA CHEM INC (US) 2001-10-31 EP disclosed
US-5981787-A INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-11-09 US disclosed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed