SCHEMBL3219620

SCHEMBL3219620

O=C([O-])CC(CC(=O)[O-])(OC(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.44
CASP1 P29466 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
SCHEMBL8442297 0.84 CA4 (0.46) CA4CASP1
SCHEMBL986408 0.80 CA4 (0.43) CA4
SCHEMBL16393916 0.78 CA4 (0.46) CA4
SCHEMBL873668 0.78 CA4 (0.38) CA4
Potassium Ion SCHEMBL28038691 0.77 CA4 (0.39) CA4
SCHEMBL27555518 0.77 CA4 (0.40) CA4
SCHEMBL7094704 0.77 CA4 (0.40) CA4
SCHEMBL27418728 0.77 CA4 (0.45) CA4
SCHEMBL5923886 0.76 CA4 (0.48) CA4CASP1
SCHEMBL193939 0.75 CA4 (0.48) CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502091-A Fluid activated search device STEPHEN J FISHER 2014-01-08 CN claimed
CN-108602699-B Electrooxidation at elevated pressure 西门子能源美国公司 2021-04-27 CN disclosed
US-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed
US-20190047881-A1 ELECTROOXIDATION AT ELEVATED PRESSURES LUMMUS TECHNOLOGY LLC 2019-02-14 US disclosed
CN-108602699-A Electroxidation at an elevated pressure 西门子能源有限公司 2018-09-28 CN disclosed
CN-103502091-A Fluid activated search device STEPHEN J FISHER 2014-01-08 CN disclosed
US-7682629-B1 Floating pharmaceutical composition comprising an active phase and a non-active phase GALENIX DEVELOPPEMENT (FR) 2010-03-23 US disclosed
EP-1399531-B1 METHODS AND FORMULATIONS FOR ENHANCING THE DISSOLUTION OF A SOLID MATERIAL IN LIQUID GENENCOR INT (US) 2008-01-09 EP disclosed
EP-1399531-A4 METHODS AND FORMULATIONS FOR ENHANCING THE DISSOLUTION OF A SOLID MATERIAL IN LIQUID GENENCOR INT (US) 2004-08-11 EP disclosed
EP-1399531-A1 METHODS AND FORMULATIONS FOR ENHANCING THE DISSOLUTION OF A SOLID MATERIAL IN LIQUID GENENCOR INTERNATIONAL, INC. (US) 2004-03-24 EP disclosed
EP-1142574-A1 Pharmaceutical formulations comprising amoxycillin and clavulanate SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2001-10-10 EP disclosed
EP-0726935-B1 CONTROL OF CALCIUM CARBONATE PRECIPITATION IN AUTOMATIC DISHWASHING PROCTER & GAMBLE (US) 2000-08-30 EP disclosed
EP-0975342-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AMOXOCYLLIN AND CLAVULANATE SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2000-02-02 EP disclosed
WO-1998035672-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AMOXOCYLLIN AND CLAVULANATE SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-08-20 WO disclosed
US-5786314-A DISHWASHING DETERGENT COMPRISING CARBONATE SOURCE, CALCIUM COMPLEXING COMPONENT, MODIFIED ACRYLATE COPOLYMER; RESIDUE-FREE THE PROCTER & GAMBLE COMPANY (US) 1998-07-28 US disclosed
EP-0726935-A1 CONTROL OF CALCIUM CARBONATE PRECIPITATION IN AUTOMATIC DISHWASHING THE PROCTER & GAMBLE COMPANY (US) 1996-08-21 EP disclosed
WO-1995012654-A1 CONTROL OF CALCIUM CARBONATE PRECIPITATION IN AUTOMATIC DISHWASHING THE PROCTER & GAMBLE COMPANY (US) 1995-05-11 WO disclosed
EP-0557466-B1 PROCESS FOR THE PREPARATION OF NONPHOSPHATED DISHWASHING COMPOSITIONS WITH OXYGEN BLEACH SYSTEMS PROCTER & GAMBLE (US) 1995-04-12 EP disclosed
US-5292446-A Chelant and polymeric carboxylate dispersant, agglomeration THE PROCTER & GAMBLE COMPANY (US) 1994-03-08 US disclosed
WO-1992009680-A1 NONPHOSPHATED DISHWASHING COMPOSITIONS WITH OXYGEN BLEACH SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 1992-06-11 WO disclosed