Itaconate

Itaconate

SCHEMBL11228451

C=C(C)C(=O)OCCCO.C=C(CC(=O)O)C(=O)O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ACHE P22303 6/20 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 SCHEMBL9068839 0.88 THRB (0.53) TSHRTHRBALOX15HSD17B10POLB
Methacrylic Acid SCHEMBL10956928 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL10953673 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL4362961 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL29066485 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Itaconate SCHEMBL28130467 0.84 TSHR (0.73) TSHRTHRBALOX15HSD17B10POLB
SCHEMBL15480 0.84 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
Itaconate SCHEMBL10708114 0.83 THRB (0.44) TSHRTHRBALOX15HSD17B10POLB
SCHEMBL2807013 0.83 ALOX15 (0.36) TSHRALOX15HSD17B10POLBAPEX1
Water SCHEMBL7119412 0.82 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003432-B1 SYNTHETIC RESIN/GLASS LAMINATES AND PROCESS FOR PRODUCING THESE LAMINATES CIN Industrial Investments Limited (GB) 1982-04-07 EP disclosed
US-4243719-A Laminates ROMAG HOLDINGS LTD. (GB) 1981-01-06 US disclosed
EP-0003432-A1 Synthetic resin/glass laminates and process for producing these laminates CIN Industrial Investments Limited (GB) 1979-08-08 EP disclosed