Water

Water

SCHEMBL5227762

CC(C)(C)P.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
SCHEMBL97177 0.93
Hydrochloric Acid SCHEMBL4986121 0.86 TSHR (0.30)
Hydrochloric Acid SCHEMBL10842729 0.86
SCHEMBL2141485 0.86 TSHR (0.30)
Iodide SCHEMBL8858866 0.86
SCHEMBL635877 0.86 TSHR (0.30)
Bromide SCHEMBL10984057 0.86
SCHEMBL337916 0.86
SCHEMBL21179486 0.86 TSHR (0.30)
SCHEMBL10990883 0.86

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024184497-A1 SHEAR THINNING TWO-PHASE COMPOSITION AND PRODUCTS MADE THEREOF EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2024-09-12 WO claimed
EP-4428196-A1 SHEAR THINNING TWO-PHASE COMPOSITION AND PRODUCTS MADE THEREOF EMPA Eidgenössische Materialprüfungs- und Forschungsanstalt (CH) 2024-09-11 EP claimed
US-20260121095-A1 Advanced Ion Exchange Membranes And Applications Thereof WILLIAMS RICHARD KENT (US) 2026-04-30 US disclosed
US-20250320381-A1 POLISHING COMPOSITION, POLISHING METHOD, AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE FUJIMI INCORPORATED (JP) 2025-10-16 US disclosed
US-20250282977-A1 POLISHING COMPOSITION, POLISHING METHOD, AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE FUJIMI INCORPORATED (JP) 2025-09-11 US disclosed
WO-2025128460-A1 ADVANCED ION EXCHANGE MEMBRANES AND APPLICATIONS THEREOF WILLIAMS RICHARD KENT (US) 2025-06-19 WO disclosed
US-12205775-B2 Process to improve coverage and electrical performance of solid electrolytic capacitors KEMET ELECTRONICS CORPORATION (US) 2025-01-21 US disclosed
WO-2024184497-A1 SHEAR THINNING TWO-PHASE COMPOSITION AND PRODUCTS MADE THEREOF EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2024-09-12 WO disclosed
EP-4428196-A1 SHEAR THINNING TWO-PHASE COMPOSITION AND PRODUCTS MADE THEREOF EMPA Eidgenössische Materialprüfungs- und Forschungsanstalt (CH) 2024-09-11 EP disclosed
WO-2022221058-A1 A PROCESS TO IMPROVE COVERAGE AND ELECTRICAL PERFORMANCE OF SOLID ELECTROLYTIC CAPACITORS KEMET ELECTRONIC CORPORATION (US) 2022-10-20 WO disclosed
US-20220223351-A1 Process to Improve Coverage and Electrical Performance of Solid Electrolytic Capacitors KEMET ELECTRONICS CORPORATION 2022-07-14 US disclosed
US-20180371289-A1 FUNCTIONALIZED POLYURETHANES POLYMERS AND FILM ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2018-12-27 US disclosed
US-10160829-B2 Functionalized polyester polymers and film articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-12-25 US disclosed
US-20180201727-A1 FUNCTIONALIZED POLYESTER POLYMERS AND FILM ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2018-07-19 US disclosed
EP-1827434-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER Amgen Inc. (US) 2007-09-05 EP disclosed
WO-2006060318-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC. (US) 2006-06-08 WO disclosed