Water

Water

SCHEMBL94343

O.O.[NaH]

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 SCHEMBL11061842 1.00
Water SCHEMBL2299753 1.00
Water SCHEMBL8477073 1.00
Water SCHEMBL8745540 1.00
Water SCHEMBL11059872 1.00
Water SCHEMBL1983786 1.00
Water SCHEMBL3644096 1.00
Water SCHEMBL9297984 1.00
Water SCHEMBL5802169 1.00
Water SCHEMBL8153667 1.00

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

Appears in 2250 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250387395-A1 TRANSDERMAL ADMINISTRATION SYSTEM FOR RISPERIDONE, AND PREPARATION METHOD THEREFOR AND USE THEREOF NOVASTAGE PHARMACEUTICALS SHENZHEN LTD (CN) 2025-12-25 US claimed
US-12380462-B2 Municipality-based distributed ledger architecture NeXBIT Networks LLC (US) 2025-08-05 US claimed
CN-120121584-A Sensor chip and method thereof 新加坡国立大学 2025-06-10 CN claimed
US-12319619-B2 Lime-based cement extender compositions, and associated systems and methods GRAYMONT WESTERN CANADA INC. (CA) 2025-06-03 US claimed
WO-2025030229-A1 PROCESS FOR RECOVERING MATERIAL DERIVED FROM BAUXITE RESIDUE AND MATERIAL DERIVED FROM BAUXITE RESIDUE WAVE ALUMINIUM BRASIL S.A. (BR) 2025-02-13 WO claimed
US-20250051236-A1 LIME-BASED CEMENT EXTENDER COMPOSITIONS, AND ASSOCIATED SYSTEMS AND METHODS GRAYMONT WESTERN CANADA INC. (CA) 2025-02-13 US claimed
EP-4504354-A1 MAGNESIUM CHLORIDE FIRE RETARDANT COMPOSITIONS Perimeter Solutions LP (US) 2025-02-12 EP claimed
CN-119367206-A Tightening anti-wrinkle mask applicable to sensitive muscles and preparation method and application thereof 绽妍生物科技股份有限公司 2025-01-28 CN claimed
US-20240408428-A1 MAGNESIUM CHLORIDE FIRE RETARDANT COMPOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-12-12 US claimed
CN-119032843-A Method for rapidly observing growth quantity of root system of grape seedling 广西壮族自治区农业科学院 2024-11-29 CN claimed
EP-0264524-B1 VAGINAL SUPPOSITORY KANEBO, LTD. (JP) 1991-06-05 EP claimed
EP-0166061-B1 OPHTHALMIC GEL, AND MANUFACTURING PROCESS THEREFOR Trager, Seymour F. (US) 1991-02-27 EP claimed
EP-0203523-B1 ALKALINE HYDROXIDE-CONTAINING COMPOUNDS IN MELTED BLOCK FORM FOR MACHINE DISH-WASHING, AND PROCESS FOR THEIR PREPARATION Henkel Kommanditgesellschaft auf Aktien (DE) 1991-01-23 EP claimed
EP-0136694-B1 PRODUCTION OF MONOMERIC HUMAN GAMMA-INTERFERON Takeda Chemical Industries, Ltd. (JP) 1990-01-31 EP claimed
US-4789669-A DEHYDROEPIANDROSTERONE SULFATE SALT WITH HYDROPHOBIC HARD FAT BASE; STORAGE STABILITY, SHELF LIFE KANEBO, LTD. (JP) 1988-12-06 US claimed
US-4495159-A Extraction of arsenic in solution in liquors containing alkali metal carbonate, sulphate and possibly hydroxide, and at least one of the metals vanadium, uranium and molybdenum URANIUM PECHINEY UGINE KUHLMANN (FR) 1985-01-22 US claimed
EP-0042941-B1 BLEACH COMPOSITION AND PROCESS FOR PREPARING IT FMC Corporation (US) 1984-08-15 EP claimed
EP-0001537-B1 PROCESS FOR THE TREATMENT OF SOLUTIONS CONTAINING CARBONATE, SULFATE, POSSIBLY HYDROXIDE OF SODIUM OR POTASSIUM AND AT LEAST ONE OF THE METALS VANADIUM, URANIUM, MOLYBDENUM ALUMINIUM PECHINEY (FR) 1983-02-09 EP claimed
EP-0019054-B1 NUTRIENT MEDIUM AND ITS USE IN TESTING ANTIMICROBIAL AGENTS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-05-05 EP claimed
US-4138268-A PERLITE, SODIUM FLUOSILICATE, FIBER MATERIAL, SODIUM OR POTASSIUM SILICATE, USED FOR INSULATION LEBANON STEEL FOUNDRY (US) 1979-02-06 US claimed