Itaconate

Itaconate

SCHEMBL3209006

C=C(CC(=O)[O-])C(=O)[O-].C=C(CC(=O)[O-])C(=O)[O-].C=C(CC(=O)[O-])C(=O)[O-].[Al+3].[Al+3]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.50
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CASP1 P29466 1/20 0.32
FAHD1 Q6P587 1/20 0.32

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 SCHEMBL107045 0.97 CA4 (0.53) CA4CA12CA1CA2CA9
Itaconate SCHEMBL2523981 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL7511457 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL11692447 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL106714 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL18554541 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL108568 0.94 CA4 (0.56) CA4CA12CA1CA2CA9
Itaconate SCHEMBL9244087 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL7518248 0.94 CA4 (0.50) CA4CA12CA1CA2CA9
Itaconate SCHEMBL18554414 0.94 CA4 (0.50) CA4CA12CA1CA2CA9

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5520725-A Dental glass ionomer cement composition GC CORPORATION (JP) 1996-05-28 US claimed
EP-1874364-B2 SURFACE CROSS-LINKED SUPERABSORBER TREATED WITH A SILICA COMPOUND AND A AL3+ SALT EVONIK DEGUSSA GMBH (DE) 2018-01-03 EP disclosed
EP-2114469-B1 WATER-ABSORBING POLYMER STRUCTURE HAVING GREAT AMMONIA-BINDING CAPACITY EVONIK DEGUSSA GMBH (DE) 2017-03-29 EP disclosed
US-20160106881-A1 PROCESS TO MAKE WATER-ABSORBING POLYMER STRUCTURE HAVING SUPERABSORBENT POLYMER INDEX EVONIK DEGUSSA GMBH 2016-04-21 US disclosed
US-9133342-B2 Preparation of highly permeable, superabsorbent polymer structures EVONIK DEGUSSA GMBH (DE) 2015-09-15 US disclosed
EP-1888132-B1 SUPERABSORBER POST-RETICULATED ON THE SURFACE AND TREATED WITH A WATER SOLUBLE ALUMINIUM SALT AND ZINC OXIDE EVONIK DEGUSSA GMBH (DE) 2015-08-12 EP disclosed
EP-1874364-B1 SURFACE CROSS-LINKED SUPERABSORBER TREATED WITH A SILICA COMPOUND AND A AL3+ SALT EVONIK DEGUSSA GMBH (DE) 2014-05-14 EP disclosed
US-8247499-B2 Based at least to 50 wt. % on carboxylate groups containing monomers and whose surface has been brought into contact with a combination of a metal salt of a bivalent or trivalent metal cation and an oxide of a transition metal; foams, diapers, disposable products EVONIK STOCKHAUSEN GMBH (DE) 2012-08-21 US disclosed
US-20100036004-A1 WATER-ABSORBING POLYMER STRUCTURE WITH A HIGH AMMONIA-BINDING CAPACITY EVONIK DEGUSSA GMBH (DE) 2010-02-11 US disclosed
EP-2114469-A2 WATER-ABSORBING POLYMER STRUCTURE HAVING GREAT AMMONIA-BINDING CAPACITY Evonik Stockhausen GmbH (DE) 2009-11-11 EP disclosed
WO-2007121941-A2 SURFACE POST CROSS-LINKED SUPERABSORBENT POLYMERS TREATED WITH ORGANIC AND INORGANIC FINE-GRAINED PARTICLES EVONIK STOCKHAUSEN GMBH (DE) 2007-11-01 WO disclosed
US-7250155-B2 Dental bleaching agent kit and the method for bleaching teeth GC CORPORATION (JP) 2007-07-31 US disclosed
WO-2006111403-A1 WATER-ABSORBENT POLYMER ENTITY, THE SURFACE THEREOF BEING TREATED BY POLYCATIONS EVONIK STOCKHAUSEN GMBH (DE) 2006-10-26 WO disclosed
WO-2006111402-A2 SUPERABSORBER TREATED WITH METALLIC SALT AND METALLIC OXIDE AND POST-CROSSLINKED ON THE SURFACE THEREOF EVONIK STOCKHAUSEN GMBH (DE) 2006-10-26 WO disclosed
WO-2006111404-A2 SUPERABSORBER POSTRETICULATED ON THE SURFACE THEREOF AND TREATED WITH A METALLIC SALT AND A METAL OXIDE EVONIK STOCKHAUSEN GMBH (DE) 2006-10-26 WO disclosed
US-20040180008-A1 Dental bleaching agent set and the method for bleaching teeth GC CORPORATION (JP) 2004-09-16 US disclosed
EP-1457200-A1 Dental bleaching agent set and the method for bleaching teeth GC Corporation (JP) 2004-09-15 EP disclosed
US-5849154-A Printing paper coated with low-molecular anionic acrylamide and method of producing same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-12-15 US disclosed
US-5844019-A Tooth-surface treatment agent for use with dental glass ionomer cement GC CORPORATION (JP) 1998-12-01 US disclosed
US-5520725-A Dental glass ionomer cement composition GC CORPORATION (JP) 1996-05-28 US disclosed