Itaconate

Itaconate

SCHEMBL6566672

C=C(CC(=O)O)C(=O)O.C=C=COC(=O)C(=C)C

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.30

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
SCHEMBL875419 0.82
Itaconate SCHEMBL8385423 0.79 ALOX15 (0.56) ALOX15HSD17B10
Itaconate SCHEMBL15419775 0.77 ALDH1A1 (0.62) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL11247023 0.75 ALDH1A1 (0.60) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL31425252 0.74 ALOX15 (0.62) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL5429101 0.74 ALOX15 (0.62) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL2945767 0.74 ALOX15 (0.62) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL9068839 0.74 THRB (0.53) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL6467197 0.73 ALOX15 (0.58) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL28072799 0.73 ALOX15 (0.48) ALOX15HSD17B10ALDH1A1TSHR

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-0554588-B1 Sheet or web material having antistatic properties AGFA GEVAERT (BE) 2004-03-31 EP disclosed
US-5312681-A Transparent undercoatings of silver halide emulsions consists of a layer of polythiophene particle dispersed in an anionic polymers and an adhering barrier layer AGFA-GEVAERT, N.V. (BE) 1994-05-17 US disclosed
EP-0554588-A1 Sheet or web material having antistatic properties AGFA-GEVAERT N.V. (BE) 1993-08-11 EP disclosed
EP-0553502-A1 Sheet or web material having antistatic properties AGFA-GEVAERT N.V. (BE) 1993-08-04 EP disclosed