Itaconate

Itaconate

SCHEMBL8767643

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TET2 Q6N021 1/20 0.31

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 SCHEMBL11526074 0.94 ALOX15 (0.59) ALOX15HSD17B10TET2
Itaconate SCHEMBL9016150 0.84 ALOX15 (0.53) ALOX15HSD17B10
Itaconate SCHEMBL3025025 0.84 ALOX15 (0.56) ALOX15HSD17B10TET2
1,1-Dichloroethene SCHEMBL10628231 0.83 PTGS1 (0.34) HSD17B10
Itaconate SCHEMBL5171052 0.83 ALOX15 (0.65) ALOX15HSD17B10TET2
Itaconate SCHEMBL3025022 0.81 ALOX15 (0.50) ALOX15HSD17B10
Itaconate SCHEMBL11346891 0.79 ALOX15 (0.68) ALOX15HSD17B10TET2
Itaconate SCHEMBL27498028 0.79 ALOX15 (0.74) ALOX15HSD17B10TET2
Methacrylic Acid SCHEMBL8082072 0.79 TDP1 (0.33) HSD17B10
Itaconate SCHEMBL2564169 0.79 ALOX15 (0.65) ALOX15HSD17B10TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589329-B1 Antistatic film bases and photographic elements comprising said antistatic film bases MINNESOTA MINING & MFG (US) 1997-08-13 EP disclosed
US-5484693-A ELECTROCONDUCTIVE CROSSLINKED POLYMERS WITH STYRENESULFONIC ACID AND MALEIC ACID WITH EPOXIDE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-16 US disclosed
EP-0589329-A1 Antistatic film bases and photographic elements comprising said antistatic filmbases MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-30 EP disclosed
EP-0486982-A1 Antistatic film bases and photographic elements comprising said antistatic film bases MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-05-27 EP disclosed