Water

Water

SCHEMBL374300

O.[Mo+6].[O-2].[O-2].[O-2]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. 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
Water SCHEMBL6244833 1.00
Water SCHEMBL14353523 0.87
Water SCHEMBL5696009 0.87
Water SCHEMBL8008698 0.87
SCHEMBL18167380 0.82
SCHEMBL2343 0.82
SCHEMBL2002087 0.82
Water SCHEMBL23888212 0.67
Water SCHEMBL8907703 0.67
Water SCHEMBL1077235 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 233 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117619433-A Biological base oil soluble molybdenum catalyst and preparation method and application thereof 北京翔澎新能源科技有限公司 2024-03-01 CN claimed
CN-111704166-B Application of hydrated molybdenum trioxide in nitrogen fixation reaction 南京信息工程大学 2024-02-09 CN claimed
CN-117488301-A Honeycomb composite molybdenum oxide coating on metal surface, preparation method thereof and application thereof in oil-water separation 深圳技术大学 2024-02-02 CN claimed
CN-115305363-B Method for efficiently oxidizing molybdenite in sulfuric acid and ferric sulfate solution under normal pressure 紫金矿业集团股份有限公司 2023-10-20 CN claimed
CN-116864604-A Preparation and application of hydrated molybdenum oxide modified composite zinc anode 常州工学院 2023-10-10 CN claimed
CN-115323194-B Process method for treating molybdenite by full wet method under normal pressure condition 紫金矿业集团股份有限公司 2023-06-06 CN claimed
CN-115323194-A Process method for treating molybdenite by full wet method under normal pressure condition 紫金矿业集团股份有限公司 2022-11-11 CN claimed
CN-115305363-A Method for efficiently oxidizing molybdenite in sulfuric acid and ferric sulfate solution under normal pressure condition 紫金矿业集团股份有限公司 2022-11-08 CN claimed
US-20210171776-A1 PLATE-LIKE PVD ALUMINUM PIGMENT WITH A PROTECTIVE ENCAPSULATION AND METHOD FOR MANUFACTURING A PLATE-LIKE PVD ALUMINIUM PIGMENT WITH A PROTECTIVE ENCAPSULATION ECKART GMBH (DE) 2021-06-10 US claimed
CN-108654599-B Hexagonal phase hydrated molybdenum trioxide photocatalyst and preparation method and application thereof 南京信息工程大学 2021-03-02 CN claimed
CN-101678304-A Method for recharging reaction tubes of a tube bundle reactor with a new fixed catalyst bed BASF SE 2010-03-24 CN claimed
CN-101412541-A Method for synthesizing rod-like and echinoid molybdena-based nano-material DALIAN CHEMICAL PHYSICS INST (CN) 2009-04-22 CN claimed
US-20080300414-A1 PROCESS FOR RECHARGING THE REACTION TUBES OF A TUBE BUNDLE REACTOR WITH A NEW FIXED CATALYST BED BASF SE (DE) 2008-12-04 US claimed
US-20050106469-A1 Metal oxide hydrate, a phyllosilicate, hygroscopic inorganic porous compound; a polyarylene having a sulfonic group; excellent proton conductivity; membrane JSR CORPORATION 2005-05-19 US claimed
US-6486091-B1 Process for making highly active and selective catalysts for the production of unsaturated nitriles SAUDI BASIC INDUSTRIES CORPORATION (SA) 2002-11-26 US claimed
EP-0076678-B1 PROCESS FOR AMMOXIDATION OF ORGANIC COMPOUNDS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1987-01-07 EP claimed
US-4456538-A Process for preparing molybdenum-containing compositions useful for improved fuel economy of internal combustion engines THE LUBRIZOL CORPORATION (US) 1984-06-26 US claimed
EP-0076678-A2 Process for ammoxidation of organic compounds NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1983-04-13 EP claimed
US-4289635-A REACTION PRODUCT OF AN UNSATURATED COMPOUND, A PHOSPHORUS-CONTAINING ACID, MOLYBDENUM TRIOXIDE, AND HYDROGEN SULFIDE THE LUBRIZOL CORPORATION (US) 1981-09-15 US claimed
US-4022837-A Production of ketones from alkenes, hydrated molybdenum(VI) oxide and water CHEVRON RESEARCH COMPANY (US) 1977-05-10 US claimed