SCHEMBL2331727

SCHEMBL2331727

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

nearest known ligand 0.31

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
CA2 known ✓ P00918 1/20 0.31
CA4 known ✓ P22748 2/20 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
Potassium Ion SCHEMBL9336366 0.97
SCHEMBL7059829 0.97 CA4 (0.31) CA4
Potassium Ion SCHEMBL7858845 0.95
Ammonia Solution, Strong SCHEMBL7775434 0.95
Ammonia Solution, Strong SCHEMBL9563376 0.95
Water SCHEMBL7566245 0.94
SCHEMBL9810936 0.89 GABRR1 (0.32)
SCHEMBL1389543 0.79 CA2 (0.33) CA2CA4
Water SCHEMBL976877 0.78 CA2 (0.32) CA2CA4
SCHEMBL7149875 0.78 CA4 (0.35) CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024164364-A1 IMPURITY REMOVING AGENT FOR POLYCRYSTALLINE SILICON HIGH-BOILER AND USE THEREOF 华陆工程科技有限责任公司 2024-08-15 WO claimed
US-7534760-B2 Highly alkaline compositions containing a hexyl glycoside as a hydrotrope AKZO NOBEL N.V. (NL) 2009-05-19 US claimed
US-20050215462-A1 Highly alkaline compositions containing a hexyl glycoside as a hydrotrope WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2005-09-29 US claimed
EP-0815188-B1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL NV (NL) 2001-09-05 EP claimed
US-6080716-A Alkaline detergent having high contents of nonionic surfactant and complexing agent, and use of an amphoteric compound as solubilizer AKZO NOBEL N.V. (NL) 2000-06-27 US claimed
EP-0815188-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1998-01-07 EP claimed
WO-1996029384-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1996-09-26 WO claimed
WO-2024164364-A1 IMPURITY REMOVING AGENT FOR POLYCRYSTALLINE SILICON HIGH-BOILER AND USE THEREOF 华陆工程科技有限责任公司 2024-08-15 WO disclosed
EP-2652106-B1 LOW STREAK DEGREASING COMPOSITION NOURYON CHEMICALS INT BV (NL) 2019-10-09 EP disclosed
US-20170073615-A1 COMPOSITION FOR CLEANING OF HARD SURFACES AKZO NOBEL CHEMICALS INT BV (NL) 2017-03-16 US disclosed
US-8980818-B2 Low streak degreasing composition AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-03-17 US disclosed
US-8937033-B2 Use of phosphated alcanols as dispersants, emulsifiers, hydrotropes, wetting agents and compatability agents in agricultural compositions AKZO NOBEL N.V. (NL) 2015-01-20 US disclosed
EP-2649171-B1 COMPOSITION FOR CLEANING OF HARD SURFACES AKZO NOBEL CHEMICALS INT BV (NL) 2014-10-29 EP disclosed
US-6432907-B1 ADJUSTMENT SOLUBILITY; MIXTURE OF NONIONIC SURFACTANT AND HYDROTROPIC AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
EP-0815188-B1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL NV (NL) 2001-09-05 EP disclosed
EP-1042438-A1 HIGHLY ALKALINE COMPOSITIONS CONTAINING A HEXYL GLYCOSIDE AS A HYDROTROPE AKZO NOBEL N.V. (NL) 2000-10-11 EP disclosed
US-6080716-A Alkaline detergent having high contents of nonionic surfactant and complexing agent, and use of an amphoteric compound as solubilizer AKZO NOBEL N.V. (NL) 2000-06-27 US disclosed
WO-1999021948-A1 HIGHLY ALKALINE COMPOSITIONS CONTAINING A HEXYL GLYCOSIDE AS A HYDROTROPE AKZO NOBEL N.V. (NL) 1999-05-06 WO disclosed
EP-0815188-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1998-01-07 EP disclosed
WO-1996029384-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1996-09-26 WO disclosed