Water

Water

SCHEMBL1801746

O.O=[N+]([O-])[O-].[Zr]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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 SCHEMBL2719908 1.00
Water SCHEMBL1902537 1.00 MEN1 (0.67)
Water SCHEMBL9064824 1.00
Water SCHEMBL651560 0.94 MEN1 (0.60)
Water SCHEMBL16583208 0.94 MEN1 (0.60)
Water SCHEMBL2590832 0.94 MEN1 (0.75)
Water SCHEMBL28398822 0.94 MEN1 (0.75)
Water SCHEMBL10566608 0.94 MEN1 (0.75)
Water SCHEMBL28478211 0.94 MEN1 (0.75)
Water SCHEMBL708617 0.94 MEN1 (0.75)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116688971-B Preparation method of solid catalyst and production method of biodiesel 齐鲁工业大学(山东省科学院) 2025-06-17 CN claimed
CN-119774633-A Conductive Y zeolite molecular sieve and preparation method and application thereof 西北工业大学 2025-04-08 CN claimed
CN-119406415-A Zirconium modified carbon coated copper-zinc catalyst, preparation and CO catalysis2Application of synthetic methanol 太原理工大学 2025-02-11 CN claimed
US-12151229-B1 Zirconium doped terbium nano oxides for wastewater remediation King Faisal University (SA) 2024-11-26 US claimed
CN-118571863-B Preparation method of alignment mark and semiconductor structure 合肥晶合集成电路股份有限公司 2024-11-12 CN claimed
CN-118571863-A Preparation method of alignment mark and semiconductor structure 合肥晶合集成电路股份有限公司 2024-08-30 CN claimed
CN-118477667-A High-activity high-selectivity CO2Co-based intermetallic carbide catalyst for preparing methanol by hydrogenation and preparation method and application thereof 浙江工业大学 2024-08-13 CN claimed
CN-118437315-A Non-noble metal propane dehydrogenation catalyst and preparation method and application thereof 北京科技大学 2024-08-06 CN claimed
CN-118125796-A Industrial preparation method of high-zirconium-oxygen composite polymer for high-speed airflow partition friction heat adhesion self-peeling composite material 安徽轩恒新材料科技有限公司 2024-06-04 CN claimed
CN-117920214-A Preparation method and application of reversed-phase copper-based catalyst for ammonia selective catalytic oxidation 大连理工大学 2024-04-26 CN claimed
CN-116060035-A Solid reverse phase catalyst, preparation method thereof and application of solid reverse phase catalyst in catalyzing methanation of low-temperature carbon dioxide 浙江工业大学 2023-05-05 CN claimed
CN-112705220-B Catalyst for skeletal isomerization reaction of carbon tetra-alkane, preparation method and application thereof 中国石油化工股份有限公司 2023-05-02 CN claimed
WO-2023054785-A1 LOW-TEMPERATURE PREPARATION METHOD FOR INORGANIC NANOFIBER WEB 주식회사 레몬 2023-04-06 WO claimed
WO-2022071597-A1 DENTAL CERAMIC COLORING SOLUTION クラレノリタケデンタル株式会社 2022-04-07 WO claimed
CN-114100627-A Method for preparing trimethylhydroquinone by trimethylbenzoquinone 上海工程技术大学 2022-03-01 CN claimed
US-11251463-B2 Method for preparing a sintered solid electrolyte having high ionic conductivity for an all-solid-state battery KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2022-02-15 US claimed
CN-113831525-A Preparation method of nonionic fatty alcohol polyether for defoaming agent 浙江皇马科技股份有限公司 2021-12-24 CN claimed
US-20190273283-A1 HIGH ION CONDUCTIVE SOLID ELECTROLYTE FOR ALL-SOLID STATE BATTERY AND METHOD FOR PREPARING SAME KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2019-09-05 US claimed
CN-105521777-A A preparing method of a catalyst for low-temperature denitrification ANHUI YUANCHEN ENV PROTENTION SCIENCE AND TECH CO LTD 2016-04-27 CN claimed
US-20070179054-A1 EXHAUST GAS PURIFICATION CATALYST MAZDA MOTOR CORPORATION (JP) 2007-08-02 US claimed