SCHEMBL526233

SCHEMBL526233

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

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
SCHEMBL28554878 1.00 CA4 (0.46)
Potassium Ion SCHEMBL28249158 0.96
Water SCHEMBL28309380 0.96 CA4 (0.43)
Water SCHEMBL29157724 0.96 CA4 (0.43)
SCHEMBL15392143 0.96
Water SCHEMBL17477712 0.96 CA4 (0.43)
SCHEMBL6294539 0.91 CA4 (0.36)
Potassium Ion SCHEMBL1124622 0.91
SCHEMBL4359131 0.91 CA4 (0.36)
Zinc Ion SCHEMBL6294528 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197570-A Soft polyimide foam material with improved cell structure and preparation method thereof 青岛海洋新材料科技有限公司 2022-10-18 CN claimed
WO-2022145967-A1 ETHYLENE-VINYL ACETATE COMPOSITE RESIN COMPOSITION HAVING EXCELLENT MELT ELASTICITY 한화솔루션 주식회사 2022-07-07 WO claimed
CN-109431914-A Scalp care composition and application thereof 湖南御家化妆品制造有限公司 2019-03-08 CN claimed
CN-108821401-A A kind of sewage-treating agent and preparation method thereof for inhaling loach extract containing China 江苏农牧科技职业学院 2018-11-16 CN claimed
CN-108653029-A A kind of high grade tea pasta film and preparation method thereof 贵州夜郎古国生物科技有限公司 2018-10-16 CN claimed
CN-108451778-A A kind of clear gel Haircare composition and preparation method thereof 名臣健康用品股份有限公司 2018-08-28 CN claimed
CN-108034426-A A kind of agent for preserving soil moisture and its preparation method and application 袁阔 2018-05-15 CN claimed
CN-107418301-A A kind of water-base ink prepared with self-dispersing pigments mill base and its preparation method and application 苏州中徽纳米科技有限公司 2017-12-01 CN claimed
CN-107184413-A It is a kind of to repair moist hair film of root of hair and preparation method thereof without anti-corrosion depth 曾万祥 2017-09-22 CN claimed
US-9764317-B2 Catalysts for preparation of butadiene by oxydehydrogenation of butene in fluidized bed reactor and method of preparing same and use of same SHANGHAI BI KE CLEAN ENERGY TECHNOLOGY CO., LTD. (CN) 2017-09-19 US claimed
US-20100055172-A1 ENCAPSULATED SOY EXTRACTS AND PROCESS FOR PREPARING SAME CORN PRODUCTS INTERNATIONAL, INC. 2010-03-04 US claimed
US-20090325929-A1 QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2009-12-31 US claimed
EP-2077820-A1 ENCAPSULATED SOY EXTRACTS AND PROCESS FOR PREPARING SAME Corn Products International, Inc. (US) 2009-07-15 EP claimed
EP-2036909-A1 QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF Peking University (CN) 2009-03-18 EP claimed
WO-2008057934-A1 ENCAPSULATED SOY EXTRACTS AND PROCESS FOR PREPARING SAME CORN PRODUCTS INTERNATIONAL, INC. (US) 2008-05-15 WO claimed
CN-101077590-A Self-curing method of concrete WENCHENG ZHAO (CN) 2007-11-28 CN claimed
US-6599098-B2 Thermolysis reaction actuating pump INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2003-07-29 US claimed
US-20030123994-A1 THERMOLYSIS REACTION ACTUATING PUMP INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2003-07-03 US claimed
US-5498431-A ULTRASONIC TREATMENT LINDNER WOLFGANG (AT) 1996-03-12 US claimed
US-4298706-A CONTAINING PARTIALLY REACTED 1,2-POLYBUTADIENE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-11-03 US claimed