Itaconate

Itaconate

SCHEMBL10885458

C=C(CC(=O)O)C(=O)O.C=C(CC=C(C)C(=O)O)C(=O)OC.C=C(Cl)Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL251959 0.87 ALDH1A1 (0.41) ALOX15HSD17B10ALDH1A1
Methacrylic Acid SCHEMBL966662 0.84 ALDH1A1 (0.43) ALDH1A1
1,1-Dichloroethene SCHEMBL11596150 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10486067 0.83 ALDH1A1 (0.35) ALOX15HSD17B10ALDH1A1
SCHEMBL1813995 0.83 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8431539 0.83 ALDH1A1 (0.52) ALDH1A1
Butadiene SCHEMBL6798608 0.83 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1
Acrylic Acid SCHEMBL3644500 0.81 ALOX15 (0.43) ALOX15HSD17B10ALDH1A1
SCHEMBL17457904 0.81 ALDH1A1 (0.36) ALOX15HSD17B10ALDH1A1
Itaconate SCHEMBL9016150 0.80 ALOX15 (0.53) ALOX15HSD17B10

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-0068461-B1 HIGH VINYLIDENE CHLORIDE CONTENT INTERPOLYMER COATING RESINS AND METHOD OF PREPARATION THE DOW CHEMICAL COMPANY (US) 1986-10-29 EP disclosed
US-4451632-A EMULSION POLYMERIZATION WITH METHYL METHACRYLATE, COMONOMER OF (METH-)ACRYLONITRILE, OR METHACRYLIC ACID, AND ITALONIC ACID THE DOW CHEMICAL COMPANY (US) 1984-05-29 US disclosed
EP-0068461-A1 High vinylidene chloride content interpolymer coating resins and method of preparation THE DOW CHEMICAL COMPANY (US) 1983-01-05 EP disclosed