SCHEMBL8530619

SCHEMBL8530619

O=C=NCC1CC(N=C=O)CCC1N=C=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7763834 0.81
SCHEMBL10606453 0.81 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL7872365 0.80 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL2340481 0.77 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL20888365 0.77 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL131130 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL571423 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19215804 0.76 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL15011466 0.74 ALDH1A1 (0.46) ALDH1A1
SCHEMBL28703241 0.74 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474227-B2 Functionalized peroxides for polymerization reactions ATOCHEM NORTH AMERICA ELF (US) 1998-06-10 EP disclosed
US-5723562-A BLOCK, GRAFT, AND CONDENSATION POLYMERIZATION; ESTERIFICATION, AMIDATION, ETHERIFICATION, CARBAMYLATION ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-03-03 US disclosed
US-5710210-A Process for polymer reactions with functionalized peroxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-01-20 US disclosed
US-5710213-A POLYMERIZING AN UNSATURATED MONOMER OR GRAFTING AN UNSATURATED POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-01-20 US disclosed
US-5612439-A REACTING WITH MONOMERS TO FORM POLYCARBONATES, POLYESTERS, POLYAMIDES, POLYUREAS, POLYIMIDES, POLYETHERS, AND POLYURETHANES; CURING, CROSSLINKING ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-03-18 US disclosed
US-5543553-A CROSSLINKING, GRAFTING AND CURING AGENTS FOR CONDENSATIONPOLYMERS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-08-06 US disclosed
US-5536790-A MOLECULAR WEIGHT CONTROL FOR POLYMERS USING PEROXY COMPOUNDS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-16 US disclosed
US-5534596-A CATALYSTS FOR ADDITION POLYMERIZATION, GRAFT POLYMERIZATION, CURING OF UNSATURATED POLYESTERS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-09 US disclosed
US-5466855-A Functionalized peroxides for polymerization reactions ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-11-14 US disclosed
US-5319130-A Monomers for condensation polymers; polyepoxides; addition polymerization initiators; compatibilizers of blends ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-06-07 US disclosed
EP-0474227-A1 Functionalized peroxides for polymerization reactions ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-03-11 EP disclosed