Water

Water

SCHEMBL546171

O.[Ni+2].[O-][O-]

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 SCHEMBL10871791 1.00
SCHEMBL320462 0.87
Water SCHEMBL11305566 0.75
Water SCHEMBL11046337 0.75
Lithium Ion SCHEMBL11019193 0.75
Water SCHEMBL9638716 0.75
Water SCHEMBL2864510 0.75
Water SCHEMBL9639866 0.75
Water SCHEMBL17049359 0.75
Water SCHEMBL5829366 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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178223-B Belzutifan and preparation method of intermediate thereof 上海皓鸿生物医药科技有限公司 2024-12-03 CN claimed
CN-116178223-A Preparation method of Belzutifan and intermediate thereof 上海皓鸿生物医药科技有限公司 2023-05-30 CN claimed
US-20230159485-A1 Methods for Preparing Cannabinoids and Related Instruments 3BC, LLC (US) 2023-05-25 US claimed
US-20220011315-A1 NON-ENZYMATIC GLOW ASSAYS UNIVERSITY OF HOUSTON SYSTEM (US) 2022-01-13 US claimed
US-20200199256-A1 TEMPO-CELLULOSE STRUCTURES AND RELATED METHODS NATIONAL SCIENCE FOUNDATION 2020-06-25 US claimed
WO-2019023702-A1 TEMPO-CELLULOSE STRUCTURES AND RELATED METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2019-01-31 WO claimed
US-20170077403-A1 METHOD FOR FABRICATING LARGE METAL NANOFIBER ELECTRODE ARRAY USING ALIGNED METAL NANOFIBER POSTECH ACADEMY- INDUSTRY FOUNDATION (KR) 2017-03-16 US claimed
US-9116147-B2 Compositions and methods for detection of small molecules using dyes derivatized with analyte responsive receptors in a chemiluminescent assay BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-25 US claimed
WO-2014119943-A1 METHOD FOR FABRICATING LARGE METAL NANOFIBER ELECTRODE ARRAY USING ALIGNED METAL NANOFIBER 포항공과대학교 산학협력단 (KR) 2014-08-07 WO claimed
WO-2007140525-A1 A METHOD OF TREATMENT AND PROPHYLAXIS OF EVENTS, CONDITIONS AND DISEASES OF THE SYSTEMIC VASCULATURE AN IMMUNE FUNCTION TO DECREASE CARDIOVASCULAR RISK AND PATHOGENIC INFECTION HOENIG MICHEL (AU) 2007-12-13 WO claimed
US-20260092924-A1 NON-ENZYMATIC GLOW ASSAYS UNIVERSITY OF HOUSTON SYSTEM (US) 2026-04-02 US disclosed
EP-3877753-B1 NON-ENZYMATIC GLOW ASSAYS UNIV HOUSTON SYSTEM (US) 2025-10-08 EP disclosed
CN-116178223-B Belzutifan and preparation method of intermediate thereof 上海皓鸿生物医药科技有限公司 2024-12-03 CN disclosed
US-11981756-B2 Tempo-cellulose structures and related methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2024-05-14 US disclosed
CN-116178223-A Preparation method of Belzutifan and intermediate thereof 上海皓鸿生物医药科技有限公司 2023-05-30 CN disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 CN disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
CN-1038283-A Amino acid ester, their preparation method, the medicine that contains them and application thereof HOECHST AG (DE) 1989-12-27 CN disclosed