Water

Water

SCHEMBL486683

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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 SCHEMBL7032143 0.87
Water SCHEMBL4336538 0.87
Water SCHEMBL4338138 0.87
Water SCHEMBL2232904 0.87
Water SCHEMBL4338403 0.87
Water SCHEMBL4347447 0.87
Fluoride Ion SCHEMBL4337955 0.82 CA4 (0.50)
Fluoride Ion SCHEMBL94295 0.82
Water SCHEMBL25293755 0.67
Fluoride Ion SCHEMBL9397204 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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118835231-A Conversion coating and preparation method thereof 美国圣戈班性能塑料公司 2024-10-25 CN claimed
CN-115341281-B Zirconium fluoride monohydrate second-order nonlinear optical crystal and preparation and application thereof 同济大学 2024-02-27 CN claimed
CN-115341281-A Second-order nonlinear optical crystal of zirconium fluoride monohydrate, preparation and application thereof 同济大学 2022-11-15 CN claimed
CN-112441615-A Preparation method of high-purity anhydrous zirconium fluoride 严永生 2021-03-05 CN claimed
EP-0192514-B1 PROCESS FOR THE PREPARATION OF HIGHLY PURE ZIRCONIUM TETRAFLUORIDE FOR USE IN THE MANUFACTURE OF FLUORIDE GLASS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1989-05-03 EP claimed
US-20260137621-A1 ORALLY BIOAVAILABLE LIPID-BASED CONSTRUCTS DIASOME PHARMACEUTICALS INC (US) 2026-05-21 US disclosed
US-20260124139-A1 LIPID CONSTRUCT FOR DELIVERY OF INSULIN TO A MAMMAL DIASOME PHARMACEUTICALS INC (US) 2026-05-07 US disclosed
US-20250288521-A1 ORALLY BIOAVAILABLE LIPID-BASED CONSTRUCTS DIASOME PHARMACEUTICALS INC (US) 2025-09-18 US disclosed
CN-118835231-A Conversion coating and preparation method thereof 美国圣戈班性能塑料公司 2024-10-25 CN disclosed
CN-118366837-A Cleaning method and cleaning system for semiconductor equipment 长鑫存储技术有限公司 2024-07-19 CN disclosed
CN-115341281-B Zirconium fluoride monohydrate second-order nonlinear optical crystal and preparation and application thereof 同济大学 2024-02-27 CN disclosed
CN-115341281-B Zirconium fluoride monohydrate second-order nonlinear optical crystal and preparation and application thereof 同济大学 2024-02-27 CN disclosed
WO-2006127361-A2 LIPID CONSTRUCT FOR DELIVERY OF INSULIN TO A MAMMAL SDG, INC. (US) 2006-11-30 WO disclosed
US-20060222698-A1 Hepatocyte delivery vehicle for delivery of glargine insulin to a mammal SDG, INC. 2006-10-05 US disclosed
US-20060222697-A1 Hepatocyte delivery vehicle for delivery of a combination of recombinant human regular insulin and recombinant human insulin isophane to a mammal SDG, INC. 2006-10-05 US disclosed
US-6703518-B1 DENTISTRY BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2004-03-09 US disclosed
EP-0370480-B1 PROCESS FOR THE PRODUCTION OF HIGH PURITY ZIRCONIUM TETRAFLUORIDE AND OTHER FLUORIDES AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-12-23 EP disclosed
EP-0434222-A1 Ultra high purity metal fluorides and their preparation TELEDYNE INDUSTRIES INC (US) 1991-06-26 EP disclosed
US-4983373-A Process for the production of high purity zirconium tetrafluoride and other fluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-01-08 US disclosed
EP-0370480-A1 Process for the production of high purity zirconium tetrafluoride and other fluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-05-30 EP disclosed