Water

Water

SCHEMBL391893

O.O.[K]

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 SCHEMBL30373569 1.00
Water SCHEMBL30012345 1.00
Water SCHEMBL29364664 1.00
Water SCHEMBL31452771 1.00
Water SCHEMBL31565647 1.00
Water SCHEMBL11680868 1.00
Water SCHEMBL11679047 1.00
Water SCHEMBL11679131 1.00
Water SCHEMBL10527938 1.00
Water SCHEMBL591710 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

Claimed or disclosed in 584 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565458-B2 Granulated agricultural composition comprising macro- and micronutrients, and related methods YPF SOCIEDAD ANONIMA (AR) 2026-03-03 US claimed
US-12319619-B2 Lime-based cement extender compositions, and associated systems and methods GRAYMONT WESTERN CANADA INC. (CA) 2025-06-03 US claimed
US-20250051236-A1 LIME-BASED CEMENT EXTENDER COMPOSITIONS, AND ASSOCIATED SYSTEMS AND METHODS GRAYMONT WESTERN CANADA INC. (CA) 2025-02-13 US claimed
CN-119284890-A Preparation method and application of graphene 宁波石墨烯创新中心有限公司 2025-01-10 CN claimed
CN-116178205-B Acrylonitrile modified azo diamine chain extender and preparation method thereof 万华化学集团股份有限公司 2024-11-12 CN claimed
US-11919813-B2 Lime-based cement extender compositions, and associated systems and methods GRAYMONT WESTERN CANADA INC. (CA) 2024-03-05 US claimed
EP-4251586-A1 LIME-BASED CEMENT EXTENDER COMPOSITIONS, AND ASSOCIATED SYSTEMS AND METHODS Graymont Western Canada Inc. (CA) 2023-10-04 EP claimed
US-20230202925-A1 LIME-BASED CEMENT EXTENDER COMPOSITIONS, AND ASSOCIATED SYSTEMS AND METHODS GRAYMONT WESTERN CANADA INC. (CA) 2023-06-29 US claimed
WO-2023122768-A1 LIME-BASED CEMENT EXTENDER COMPOSITIONS, AND ASSOCIATED SYSTEMS AND METHODS GRAYMONT WESTERN CANADA INC. (CA) 2023-06-29 WO claimed
CN-110668904-B Organic compound fertilizer 辽宁东北丰专用肥有限公司 2023-06-23 CN claimed
WO-2003039373-A1 DEVICE FOR USE IN MEASURING AND/OR ANALYSING AT LEAST ONE PARAMETER OF AN EXTERNAL BODY PORTION L'OREAL-D.I.P.I. (FR) 2003-05-15 WO claimed
EP-0972824-B1 Water-softening and detergent compositions UNILEVER PLC (GB) 2002-07-10 EP claimed
EP-1098895-B1 METHOD FOR PREPARING LINTITRIPT POTASSIUM SALT SANOFI SYNTHELABO (FR) 2002-06-05 EP claimed
US-6279571-B1 Emergency breathing apparatus DRäGER AEROSPACE GMBH (DE) 2001-08-28 US claimed
EP-1098895-A1 METHOD FOR PREPARING LINTITRIPT POTASSIUM SALT SANOFI-SYNTHELABO (FR) 2001-05-16 EP claimed
WO-2000005233-A1 METHOD FOR PREPARING LINTITRIPT POTASSIUM SALT SANOFI-SYNTHELABO (FR) 2000-02-03 WO claimed
EP-0241760-B1 CATALYST AND PROCESS FOR THE CATALYTIC HYDROGENATION OF FATTY ACID METHYL ESTERS IN A FIXED BED Henkel Kommanditgesellschaft auf Aktien (DE) 1990-12-19 EP claimed
US-4451439-A OXIDANT AND CATALYST PECHINEY (FR) 1984-05-29 US claimed
WO-1983001616-A1 PROCESS FOR THE PREPARATION OF 1,1-DICHLORO-4-METHYL-1,3-PENTADIENE SOOS, RUDOLF 1983-05-11 WO claimed
US-3954949-A Process for making oxygen difluoride ALLIED CHEMICAL CORPORATION (US) 1976-05-04 US claimed