SCHEMBL10896192

SCHEMBL10896192

O=CCCn1c(=O)[nH]c(=O)n(CCC=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.50
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4760704 0.83 CYP3A4 (0.38) CYP3A4
SCHEMBL8827010 0.82 APEX1 (0.32) APEX1
SCHEMBL25014061 0.80 CYP3A4 (0.50) APEX1CYP3A4
SCHEMBL17935736 0.71 APEX1 (0.54) APEX1
SCHEMBL18460455 0.71 APEX1 (0.54) APEX1CYP3A4
SCHEMBL5198850 0.71 APEX1 (0.54) APEX1CYP3A4
SCHEMBL11637084 0.68 MAPT (0.53) APEX1
SCHEMBL6213895 0.68 ALDH1A1 (0.64)
SCHEMBL157928 0.67 CYP3A4 (0.71) APEX1CYP3A4
SCHEMBL191729 0.67 NPSR1 (0.58) APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055090-B1 ADDUCTS OF ACROLEIN AND ISOCYANURIC ACID AND POLYMER COMPOSITIONS THEREOF MONSANTO COMPANY (US) 1985-04-10 EP claimed
EP-0055090-A1 Adducts of acrolein and isocyanuric acid and polymer compositions thereof MONSANTO COMPANY (US) 1982-06-30 EP claimed
US-4326057-A CROSSLINKING AGENTS MONSANTO COMPANY (US) 1982-04-20 US claimed
EP-0082832-B1 RADIATION AND HEAT CURABLE COMPOSITIONS COMPRISING ISOCYANURIC ACID-ACROLEIN DERIVATIVES MONSANTO COMPANY (US) 1986-02-26 EP disclosed
US-4555319-A Radiation-curable compositions comprising isocyanuric acid-acrolein derivatives MONSANTO COMPANY (US) 1985-11-26 US disclosed
US-4447594-A Heat-curable compositions comprising isocyanuric acid-acrolein derivatives MONSANTO COMPANY (US) 1984-05-08 US disclosed
EP-0082832-A2 Radiation and heat curable compositions comprising isocyanuric acid-acrolein derivatives MONSANTO COMPANY (US) 1983-06-29 EP disclosed
US-4375538-A Polymer compositions comprising adducts of acrolein and isocyanuric acid MONSANTO COMPANY (US) 1983-03-01 US disclosed
US-4374240-A MOLDING MATERIALS; LAMINATION; COATINGS; ADHESIVES; CASTINGS MONSANTO COMPANY (US) 1983-02-15 US disclosed