Water

Water

SCHEMBL168325

O.O.[Ti]

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 SCHEMBL18985937 1.00
Water SCHEMBL9317662 1.00
Water SCHEMBL3662122 1.00
Water SCHEMBL10378772 1.00
Water SCHEMBL9723088 1.00
Water SCHEMBL9617508 1.00
Water SCHEMBL9063269 1.00
Water SCHEMBL22471762 1.00
Water SCHEMBL21358072 1.00
Water SCHEMBL6702508 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 178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041031-B In-situ treatment technology of engineering slag soil with high water content 浙大宁波理工学院 2024-08-23 CN claimed
CN-118515311-A Method for preparing defective titanium dioxide hydrogel at low temperature and normal pressure 泰州职业技术学院 2024-08-20 CN claimed
CN-117881732-A Silky white multilayer coating 巴斯夫涂料有限公司 2024-04-12 CN claimed
CN-113896230-B Method for improving dispersibility of titanium dioxide 极微纳(福建)新材料科技有限公司 2024-02-06 CN claimed
CN-117328263-A Method for in-situ growth of nano titanium dioxide on cloth surface 宁波极微纳新材料科技有限公司 2024-01-02 CN claimed
CN-117199510-A Preparation method of sulfide composite solid electrolyte with high interface stability and application of sulfide composite solid electrolyte in solid sodium battery 万向一二三股份公司 2023-12-08 CN claimed
CN-113896228-B Titanium dioxide material and preparation method and application thereof 极微纳(福建)新材料科技有限公司 2023-08-11 CN claimed
CN-116041031-A In-situ treatment technology of engineering slag soil with high water content 浙大宁波理工学院 2023-05-02 CN claimed
US-20230030182-A1 BATTERY FOR ACHIEVING HIGH CYCLE LIFE AND ZINC UTILIZATION IN SECONDARY ZINC ANODES USING ELECTROCOAGULANTS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2023-02-02 US claimed
EP-3939722-A1 PREPARATION METHOD FOR GAS DIFFUSION LAYER HAVING GRADIENT APERTURE FOR SPE ELECTROLYTIC BATH Huaneng Clean Energy Research Institute (CN) 2022-01-19 EP claimed
US-20170288263-A1 SOLID-STATE ELECTROLYTES FOR LITHIUM BATTERIES AND PROCESS FOR PRODUCTION THEREOF FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2017-10-05 US claimed
EP-1432778-B2 PRODUCTION OF FISCHER-TROPSCH SYNTHESIS PRODUCED WAX SASOL TECH PTY LTD (ZA) 2010-08-11 EP claimed
US-7285328-B2 Efficiency, for use as white pigment in paints DEPCO-TRH PTY LTD (AU) 2007-10-23 US claimed
US-7262225-B2 Production of fischer-tropsch synthesis produced wax SASOL TECHNOLOGY (PROPRIETARY) LIMITED (ZA) 2007-08-28 US claimed
EP-1432778-B1 PRODUCTION OF FISCHER-TROPSCH SYNTHESIS PRODUCED WAX SASOL TECH PTY LTD (ZA) 2006-09-13 EP claimed
US-6124071-A COMPRISED OF POLYMER AND TITANIUM OXIDE DIHYDROXIDE OF THE FORMULA--O--TI(OH)2; ALSO AN ORGANIC ALUMINUM COMPLEX AS CHARGE CONTROL AGENT, A COLORANT, AND A WAX; NONMAGNETIC; ANTISTICKING AGENTS; NO FILM CONTAMINATION; FAST CHARGING XEROX CORPORATION (US) 2000-09-26 US claimed
US-5153068-A Discoloration inhibition SEKISUI FINE CHEMICAL CO., LTD. (JP) 1992-10-06 US claimed
US-4801386-A THERMOPLASTIC POLYMER MATRIX, FILLER, ABSORPTION MITSUBISHI RAYON CO., LTD. (JP) 1989-01-31 US claimed
EP-0152955-B1 POROUS WATER-TREATING MATERIAL AND PROCESS FOR PRODUCING THE SAME MITSUBISHI RAYON CO., LTD. (JP) 1988-07-13 EP claimed
EP-0152955-A2 Porous water-treating material and process for producing the same MITSUBISHI RAYON CO., LTD. (JP) 1985-08-28 EP claimed