SCHEMBL7753330

SCHEMBL7753330

O=C(OCl)C(=O)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
NAAA Q02083 2/20 0.39
GPR35 Q9HC97 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 3/20 0.36
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MMP1 P03956 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL2999385 0.88 EPHX1 (0.54) EPHX1CA12CA1CA2CA9
SCHEMBL11591531 0.85 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL6623051 0.83 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL4672536 0.81 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL755855 0.79 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL7603488 0.79 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL7753333 0.79 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL20573315 0.78 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL4676851 0.78 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL1584701 0.77 EPHX1 (0.52) EPHX1CA12CA1CA2CA9

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 10 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
EP-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 EP disclosed
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 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
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
CN-1186803-A Novel bis (mono-and diperoxyoxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOCHEM NORTH AMERICA ELF (US) 1998-07-08 CN disclosed
EP-0850928-A1 Novel peroxyoxalates derived from hydroxy-hydroperoxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed