Itaconate

Itaconate

SCHEMBL9056840

C=C(CC(=O)O)C(=O)O.C=CC(=O)OC.C=CNC(C)=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
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
Itaconate SCHEMBL27781638 0.90 HSD17B10 (0.67) ALOX15HSD17B10TSHR
Itaconate SCHEMBL6367963 0.90 HSD17B10 (0.67) ALOX15HSD17B10TSHR
Itaconate SCHEMBL11231577 0.88 HSD17B10 (0.64) ALOX15HSD17B10TSHR
Itaconate SCHEMBL11231578 0.88 HSD17B10 (0.64) ALOX15HSD17B10TSHR
Itaconate SCHEMBL18396077 0.86 HSD17B10 (0.74) ALOX15HSD17B10TSHR
Itaconate SCHEMBL218838 0.85 HSD17B10 (0.60) ALOX15HSD17B10TSHR
Itaconate SCHEMBL28357869 0.84 ALOX15 (0.55) ALOX15HSD17B10TSHR
Itaconate SCHEMBL9335169 0.83 ALOX15 (0.53) ALOX15HSD17B10
Itaconate SCHEMBL28904531 0.82 ALOX15 (0.67) ALOX15HSD17B10TSHR
Itaconate SCHEMBL2542647 0.81 ALOX15 (0.55) ALOX15HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446636-B1 External application base or auxiliary agent and external application composition for human being or animal containing the same SHOWA DENKO KK (JP) 1996-06-12 EP disclosed
US-5455042-A Ointment comprising a homogenous mixture of a polymer or copolymer of N-vinylacetamide, water and/or alcohols, and a pharmacologically active component SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-10-03 US disclosed
US-5344655-A Drug delivery SHOWA DENKO K.K. (JP) 1994-09-06 US disclosed
US-5254338-A N-vinylacetamide polymer SHOWA DENKO K.K. (JP) 1993-10-19 US disclosed
EP-0446636-A2 External application base or auxiliary agent and external application composition for human being or animal containing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 1991-09-18 EP disclosed