Itaconate

Itaconate

SCHEMBL9138161

C=C(C)C(=O)OC.C=C(CC(=O)O)C(=O)O.C=CC(=O)OCC(F)(F)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.32
THRB P10828 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
Itaconate SCHEMBL11290331 0.82 HSD17B10 (0.49) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Itaconate SCHEMBL9136633 0.82 HSD17B10 (0.49) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Itaconate SCHEMBL28357869 0.81 ALOX15 (0.55) ALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL9137100 0.80 ALDH1A1 (0.44) HSD17B10ALDH1A1TP53CYP3A4MAPK1
Ethyl Fumarate SCHEMBL9138192 0.80 HCAR2 (0.46) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Itaconate SCHEMBL6467197 0.78 ALOX15 (0.58) ALOX15HSD17B10ALDH1A1TP53TSHR
Itaconate SCHEMBL6247056 0.78 TSHR (0.56) ALOX15HSD17B10ALDH1A1TP53CYP3A4
SCHEMBL21219459 0.77 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
SCHEMBL6048095 0.77 ALDH1A1 (0.39) HSD17B10ALDH1A1TP53CYP3A4MAPK1
Itaconate SCHEMBL15419775 0.77 ALDH1A1 (0.62) ALOX15HSD17B10ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5410005-A Comprising acrylic amide and ester copolymers and their salts, having carboxyl and sulfonic acid groups as well as fluoro JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1995-04-25 US disclosed
EP-0583918-A2 Reflection preventing film and process for forming resist pattern using the same JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-02-23 EP disclosed