Itaconate

Itaconate

SCHEMBL27748501

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

nearest known ligand 0.60

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TET2 Q6N021 1/20 0.35
LDHA P00338 1/20 0.31
SRR Q9GZT4 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 SCHEMBL1653815 0.94 ALOX15 (0.46) ALOX15HSD17B10TET2
Itaconate SCHEMBL11113333 0.91 ALOX15 (0.67) ALOX15HSD17B10TET2
Itaconate SCHEMBL9683106 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL29353839 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL29111382 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL8053204 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL30849894 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL6536561 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL1656084 0.84 ALOX15 (0.50) ALOX15HSD17B10TET2LDHASRR
Malonic Acid SCHEMBL1654355 0.84 LDHA (0.36) ALOX15HSD17B10LDHASRR

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
CN-101477308-B Negative photoresist composition and method of manufacturing array substrate using the same SAMSUNG DISPLAY CO LTD 2013-08-07 CN disclosed
CN-101477308-A Negative photoresist composition and method of manufacturing array substrate using the same SAMSUNG ELECTRONICS CO LTD (KR) 2009-07-08 CN disclosed