Water

Water

SCHEMBL1552649

O.O.[Cl-].[Cl-].[Ni+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 SCHEMBL4957698 1.00
Water SCHEMBL2295403 1.00 KDM3A (0.33)
Water SCHEMBL225664 1.00
Water SCHEMBL9317506 1.00 KDM3A (0.33)
Water SCHEMBL7546680 1.00
Water SCHEMBL6343678 1.00
Water SCHEMBL6308023 1.00
Water SCHEMBL117189 1.00
Water SCHEMBL2708008 1.00 KDM3A (0.33)
Water SCHEMBL28312514 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684136-A Preparation method of (R) -2- ((4-aminophenyl ethyl) amino) -1-phenethyl-1-alcohol 东北制药集团股份有限公司 2025-03-25 CN claimed
CN-118979076-A Method for preparing R- (+) -2- (4-hydroxyphenoxy) propionic acid by chemical-enzyme coupling 中国科学院合肥物质科学研究院 2024-11-19 CN claimed
CN-117160459-B Metal nano material and preparation method and application thereof 淮安中顺环保科技有限公司 2024-07-26 CN claimed
CN-117160459-A Metal nano material and preparation method and application thereof 淮安中顺环保科技有限公司 2023-12-05 CN claimed
CN-117101683-A ZnCo 2 S 4 NiO composite photocatalyst, and preparation method and application thereof 常州大学 2023-11-24 CN claimed
CN-116590153-A Beauveria bassiana ZJB23323 and application thereof in synthesis of R-2- (4-hydroxyphenoxy) propionic acid 浙江工业大学 2023-08-15 CN claimed
CN-113881715-B Biosynthesis method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 湖北工业大学 2023-06-06 CN claimed
CN-110252335-B Carbon-coated nickel-ruthenium nano material and preparation method and application thereof 苏州大学 2022-03-29 CN claimed
CN-112530712-B Composite electrode material, preparation method thereof and supercapacitor 吉林大学 2022-02-22 CN claimed
CN-111036243-B Oxygen vacancy-containing transition metal-doped BiOBr nanosheet photocatalyst and preparation method and application thereof FUZHOU UNIVERSITY (CN) 2021-08-31 CN claimed
CN-112530712-A Composite electrode material, preparation method thereof and supercapacitor 吉林大学 2021-03-19 CN claimed
CN-111036243-A Oxygen vacancy-containing transition metal-doped BiOBr nanosheet photocatalyst and preparation method and application thereof 福州大学 2020-04-21 CN claimed
US-6824668-B2 DIPPING INTO NICKEL-/IRON- SULFAMATE, PHOSPHOROUS ACID, AND BUFFER SOLUTION UNDER ELECTRIC CURRENT DENSITY; FOR USE IN NUCLEAR POWER PLANTS KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2004-11-30 US claimed
US-20030178318-A1 Method for electroplating Ni-Fe-P alloys using sulfamate solution KOREA HYDRO & NUCLEAR POWER CO., LTD. (KR) 2003-09-25 US claimed
US-4600701-A Nickel-boride polymer catalyst INTERNATIONALE OCTROI MAATSCHAPPIJ "OCTROPA" B.V. (NL) 1986-07-15 US claimed
EP-0159101-A1 Improved nickel-boride polymer catalyst UNILEVER N.V. (NL) 1985-10-23 EP claimed
CN-119943982-B Catalytic material containing porous ordered PtCu octahedron, preparation method thereof and application thereof in fuel cell 中南大学 2025-06-24 CN disclosed
CN-119798036-B Method for preparing fatty alcohol from triglyceride compounds 江西省林业科学院 2025-06-24 CN disclosed
US-4077902-A Nickel stabilizers for synthetic polymers CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-3959326-A COMPLEXES WITH PHOSPHATE, CARBOXYLIC ACID, ALKALI METAL CIBA-GEIGY CORPORATION (US) 1976-05-25 US disclosed