Itaconate

Itaconate

SCHEMBL9016150

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
Itaconate SCHEMBL8767643 0.84 ALOX15 (0.53) ALOX15HSD17B10
Malonic Acid SCHEMBL3868429 0.81 LDHA (0.43) ALOX15HSD17B10
Malonic Acid SCHEMBL7520789 0.81 LDHA (0.43) ALOX15HSD17B10
Itaconate SCHEMBL10885458 0.80 ALOX15 (0.42) ALOX15HSD17B10
SCHEMBL3764689 0.80 ALOX15 (0.38) ALOX15HSD17B10
SCHEMBL9363617 0.80 ALOX15 (0.38) ALOX15HSD17B10
Itaconate SCHEMBL3025025 0.79 ALOX15 (0.56) ALOX15HSD17B10
SCHEMBL9293054 0.79 GRIK1 (0.36) ALOX15HSD17B10
SCHEMBL9293058 0.79 GRIK1 (0.36) ALOX15HSD17B10
SCHEMBL9186910 0.79 PTGS1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745896-A1 Antistatic film bases and photographic elements comprising said antistatic film bases MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-04 EP disclosed