Water

Water

SCHEMBL188611

CCC(N)(CC)CC.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
Fluoride SCHEMBL4584812 0.96 TSHR (0.33)
SCHEMBL44443 0.95
SCHEMBL28364403 0.91
Hydrochloric Acid SCHEMBL659839 0.91
Bromide SCHEMBL1566336 0.91
Ammonia Solution, Strong SCHEMBL3400813 0.91
Bromide SCHEMBL28612724 0.91 TSHR (0.36)
Fluoride SCHEMBL191143 0.91
Iodide SCHEMBL1567793 0.91
Iodide SCHEMBL28624181 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 834 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606916-B2 Method for reducing or preventing corrosion or fouling caused by acidic compounds KURITA WATER INDUSTRIES LTD. (JP) 2026-04-21 US claimed
EP-3958292-B1 CLEANING FLUID, METHOD OF CLEANING, AND METHOD OF PREPARING SEMICONDUCTOR WAFER MITSUBISHI CHEM CORP (JP) 2025-04-02 EP claimed
US-20250066968-A1 METHOD FOR DEGUMMING AND DECOLORIZING POLYESTER FABRIC NAN YA PLASTICS CORPORATION (TW) 2025-02-27 US claimed
CN-119126507-A Photoresist stripping liquid, preparation method and application thereof 浙江奥首材料科技有限公司 2024-12-13 CN claimed
CN-118771403-A Modified titanium-silicon molecular sieve, titanium-silicon molecular sieve supported metal nanoparticle catalyst, preparation method and propylene gas-phase epoxidation method 中国石油化工股份有限公司 2024-10-15 CN claimed
CN-115335549-B Chromate-free ceramic compositions with reduced cure temperature 普莱克斯S.T.技术有限公司 2024-09-24 CN claimed
US-12054578-B2 Process for producing porous materials AEROGEL-IT GMBH (DE) 2024-08-06 US claimed
CN-118048204-A Wafer cleaning liquid for cleaning copper surface after chemical mechanical planarization 华中科技大学 2024-05-17 CN claimed
CN-117417728-A Nanometer abrasive particles, preparation method thereof and application thereof in chemical mechanical polishing 甬江实验室 2024-01-19 CN claimed
US-20230416605-A1 CHEMICAL LIQUID AND TREATMENT METHOD FUJIFILM CORPORATION (JP) 2023-12-28 US claimed
US-20070100153-A1 PROCESS FOR PREPARING ORGANICALLY MODIFIED POLYORGANOSILOXANES GOLDSCHMIDT GMBH (DE) 2007-05-03 US claimed
EP-1334987-B1 Low temperature curable solid powder lacquer compositions containing urethdione groups DEGUSSA (DE) 2006-08-09 EP claimed
US-20050239956-A1 Polyurethane composition which contains an uretdione group DEGUSSA AG (DE) 2005-10-27 US claimed
US-6914115-B2 Low-temperature-curable, solid polyurethane powder coating compositions containing uretdione groups DEGUSSA AG (DE) 2005-07-05 US claimed
US-20050096451-A1 High-reactivity liquid polyurethane systems which contain uretdione groups and can be cured at a low temperature DEGUSSA AG (DE) 2005-05-05 US claimed
US-20050096450-A1 Low temperature curable polyurethane compositions containing uretdione groups DEGUSSA AG (DE) 2005-05-05 US claimed
US-20040219367-A1 Low-temperature-curable, solid polyurethane powder coating compositions containing uretdione groups DEGUSSA AG (DE) 2004-11-04 US claimed
US-20030153713-A1 Low-temperature-curable, solid polyurethane powder coating compositions containing uretdione groups DEGUSSA AG (DE) 2003-08-14 US claimed
US-6379500-B2 Silica-based sols AKZO NOBEL NV (NL) 2002-04-30 US claimed
US-20010004927-A1 Aqueous silica-based sol comprising a nitrogen-containing organic compound and silica-based particles with a specific surface area of atleast 300 square meters/gram of silica having S-valule 10-60% AKZO NOBEL NV (NL) 2001-06-28 US claimed