SCHEMBL1983649

SCHEMBL1983649

[Na+].[Na+].[O-2].[O-2].[O-2].[Zr+4]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL28183248 0.82
SCHEMBL29975478 0.82
SCHEMBL608186 0.82
SCHEMBL6557600 0.82
SCHEMBL1812705 0.82 CA1 (0.33)
SCHEMBL30805362 0.82
SCHEMBL29233 0.82
SCHEMBL14119245 0.82
SCHEMBL15398 0.82
SCHEMBL23702727 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116273131-A Metal-free catalyst for directly converting methane into hydrogen and preparation method thereof 上海天阳钢管有限公司 2023-06-23 CN claimed
EP-3204348-A1 METHODS FOR THE PRODUCTION OF a,ß-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF Chevron Phillips Chemical Company LP (US) 2017-08-16 EP claimed
US-9416087-B2 Methods for the production of α,β-unsaturated carboxylic acids and salts thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-08-16 US claimed
WO-2016057449-A1 METHODS FOR THE PRODUCTION OF a,ß-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-04-14 WO claimed
US-20160102039-A1 Methods for the Production of Alpha,Beta-Unsaturated Carboxylic Acids and Salts Thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-04-14 US claimed
CN-118380580-B Sodium ion battery positive electrode material and preparation method and application thereof 成都大学 2024-09-13 CN disclosed
CN-118380580-A Sodium ion battery positive electrode material and preparation method and application thereof 成都大学 2024-07-23 CN disclosed
CN-116273131-A Metal-free catalyst for directly converting methane into hydrogen and preparation method thereof 上海天阳钢管有限公司 2023-06-23 CN disclosed
CN-116273131-A Metal-free catalyst for directly converting methane into hydrogen and preparation method thereof 上海天阳钢管有限公司 2023-06-23 CN disclosed
CN-115433075-A Process for producing alpha, beta-unsaturated carboxylic acids and salts thereof 切弗朗菲利浦化学公司 2022-12-06 CN disclosed
CN-109071398-B Process for producing alpha, beta-unsaturated carboxylic acids and salts thereof 切弗朗菲利浦化学公司 2022-09-27 CN disclosed
EP-3798204-A1 METHODS FOR THE PRODUCTION OF ALPHA,BETA-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF Chevron Phillips Chemical Company LP (US) 2021-03-31 EP disclosed
US-20110151356-A1 Electrocatalyst for Oxygen Reduction with Reduced Platinum Oxidation and Dissolution Rates BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2011-06-23 US disclosed
US-7704918-B2 Synthesis of metal-metal oxide catalysts and electrocatalysts using a metal cation adsorption/reduction and adatom replacement by more noble ones BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2010-04-27 US disclosed
EP-1883468-A2 ELECTROCATALYST FOR OXYGEN REDUCTION WITH REDUCED PLATINUM OXIDATION AND DISSOLUTION RATES Brookhaven Science Associates (US) 2008-02-06 EP disclosed
US-7314847-B1 Mixing alkali metal oxide, alkali metal hydroxide, alkaline earth metal oxide, alkaline earth metal hydroxide, alkali titanate, alkali zirconate, alkali silicate with a binder and water, calcining; power plant polution control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2008-01-01 US disclosed
US-20070264189-A1 Synthesis of Metal-Metal Oxide Catalysts and Electrocatalysts Using a Metal Cation Adsorption/Reduction and Adatom Replacement by More Noble Ones BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2007-11-15 US disclosed
US-20060263675-A1 Electrocatalyst for oxygen reduction with reduced platinum oxidation and dissolution rates ENERGY, UNITED STATES DEPARTMENT OF 2006-11-23 US disclosed
WO-2006124959-A2 ELECTROCATALYST FOR OXYGEN REDUCTION WITH REDUCED PLATINUM OXIDATION AND DISSOLUTION RATES BROOKHAVEN SCIENCE ASSOCIATES (US) 2006-11-23 WO disclosed
US-6361821-B1 FORMING SENSOR BY DENSIFYING ELECTROLYTE, EXPOSING ELECTROLYTE TO ALKALINE SOLUTION SELECTED FROM POTASSIUM HYDROXIDE AND BARIUM HYDROXIDE DELPHI TECHNOLOGIES, INC. 2002-03-26 US disclosed