Water

Water

SCHEMBL421187

CC(O)C(N1CCN(C(C(C)O)S(=O)(=O)O)CC1)S(=O)(=O)O.O.O.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 SCHEMBL955956 1.00
SCHEMBL131930 0.98
SCHEMBL1234084 0.84 USP2 (0.36)
SCHEMBL28214258 0.84 CHRM2 (0.36)
SCHEMBL443924 0.82 CHRM2 (0.44)
SCHEMBL62393 0.70 KDM4E (0.32)
SCHEMBL6542902 0.68
Water SCHEMBL28800260 0.67 KDM4E (0.30)
SCHEMBL19066410 0.65 LMNA (0.33)
SCHEMBL987341 0.65 SIGMAR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12480155-B2 Nicking enzymes LUMIRADX UK LTD. (GB) 2025-11-25 US claimed
EP-3608378-B1 CHEMICAL MECHANICAL PLANARIZATION COMPOSITION FOR POLISHING OXIDE MATERIALS AND METHOD OF USE THEREOF VERSUM MAT US LLC (US) 2025-09-24 EP claimed
US-20230381356-A1 MICROBIOLOGICAL TRANSPORT MEDIUM AND METHODS OF USING THE SAME Texas Health Resources, a Texas non-profit corporation (US) 2023-11-30 US claimed
US-20220305161-A1 MICROBIOLOGICAL TRANSPORT MEDIUM AND METHODS OF USING THE SAME Texas Health Resources, a Texas non-profit corporation (US) 2022-09-29 US claimed
WO-2022131494-A1 BIOSENSOR 동우 화인켐 주식회사 2022-06-23 WO claimed
EP-3997462-A1 ASSAYS FOR IMPROVING AUTOMATED ANTIMICROBIAL SUSCEPTIBILITY TESTING ACCURACY Selux Diagnostics Inc. (US) 2022-05-18 EP claimed
EP-3987018-A1 IMPROVEMENTS IN OR RELATING TO NICKING ENZYMES LUMIRADX UK LTD (GB) 2022-04-27 EP claimed
US-11300562-B2 Methods, systems, and compositions for studying solvent accessibility and three-dimensional structure of biological molecules WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-04-12 US claimed
EP-3458856-B1 METHODS, SYSTEMS, AND COMPOSITIONS FOR STUDYING SOLVENT ACCESSIBILITY AND THREE-DIMENSIONAL STRUCTURE BIOLOGICAL MOLECULES WISCONSIN ALUMNI RES FOUND (US) 2021-04-21 EP claimed
WO-2021007492-A1 ASSAYS FOR IMPROVING AUTOMATED ANTIMICROBIAL SUSCEPTIBILITY TESTING ACCURACY SeLux Diagnostics, Inc. (US) 2021-01-14 WO claimed
EP-2652147-B1 ONE-STEP METHOD OF ELUTION OF DNA FROM BLOOD SAMPLES WISCONSIN ALUMNI RES FOUND (US) 2017-01-25 EP claimed
US-9206468-B2 One-step method of elution of DNA from blood samples WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-12-08 US claimed
US-20150191800-A1 DETECTION OF CYTOMEGALOVIRUS DNA USING AMPLIFICATION FROM BLOOD SAMPLES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-09 US claimed
US-8980224-B2 Method of cardiac imaging GE HEALTHCARE AS (NO) 2015-03-17 US claimed
US-20140099790-A1 Chemical Mechanical Polishing Composition Having Chemical Additives and Methods for Using Same AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-04-10 US claimed
EP-2662427-A2 Chemical mechanical polishing composition having chemical additives and methods for using same AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-11-13 EP claimed
US-20130157253-A1 DETECTION OF CYTOMEGALOVIRUS DNA USING AMPLIFICATION FROM BLOOD SAMPLES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-06-20 US claimed
US-20120156683-A1 ONE-STEP METHOD OF ELUTION OF DNA FROM BLOOD SAMPLES WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-06-21 US claimed
WO-2007005626-A1 COMPOSITIONS AND METHODS FOR DETECTING, AMPLIFYING, AND/OR ISOLATING NUCLEIC ACIDS BIOVERIS CORPORATION (US) 2007-01-11 WO claimed
WO-2007002580-A2 DIAGNOSTIC AS SAY SYSTEM WITH MULTI -WELL REAGENT CONTAINER BIOVERIS CORPORATION (US) 2007-01-04 WO claimed