Water

Water

SCHEMBL509803

O.[B]

nearest known ligand 0.00

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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 SCHEMBL3091707 1.00
Water SCHEMBL8618184 1.00
Water SCHEMBL10747942 1.00
Water SCHEMBL2234642 1.00
Fluoride SCHEMBL11226844 0.82
Fluoride SCHEMBL8671307 0.82
Fluoride SCHEMBL733962 0.82
Water SCHEMBL10411751 0.82
Fluoride SCHEMBL9482092 0.82
Water SCHEMBL5076497 0.82

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 1311 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642749-A1 CROP NUTRITION AND FORTIFICATION COMPOSITION Bhukhanwala, Komal (IN) 2025-11-05 EP claimed
US-12418052-B2 Separator including gas generating agent and method of manufacturing the same LG ENERGY SOLUTION, LTD. (KR) 2025-09-16 US claimed
CN-222804766-U Filter device for ultra-pure water boron removal device 苏州大图环境工程设备有限公司 2025-04-29 CN claimed
CN-119822448-A Method for degrading perfluoro caprylic acid in water by utilizing photocatalysis of boron hydroxide 南京大学 2025-04-15 CN claimed
US-12275651-B1 Method of forming zinc oxide/borate nanocomposite IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2025-04-15 US claimed
CN-119833184-A Pit recirculation screen, containment recirculation system, and PH control method 上海核工程研究设计院股份有限公司 2025-04-15 CN claimed
CN-113130754-B Semiconductor structure formation 美光科技公司 2025-04-11 CN claimed
CN-119776912-A Carbon material modified impregnant and preparation method and application thereof 湖南治齐科技有限公司 2025-04-08 CN claimed
CN-222725050-U Cleaning device for boron sample introduction cup in ICP-OES water measurement 西部第三方检测集团(陕西)有限公司 2025-04-08 CN claimed
EP-4523289-A1 THERMAL INSULATION MATERIALS FOR BATTERIES Hollingsworth & Vose Company (US) 2025-03-19 EP claimed
US-5580917-A Hydrostatically damping shock and vibration energy absorbing non-vulcanizable silicone elastomer AZN POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 1996-12-03 US claimed
EP-0692554-A1 Electroless plating bath used for forming a wiring of a semiconductor device, and method of forming a wiring of a semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1996-01-17 EP claimed
US-5449529-A Oxidation resistance TOYO TANSO CO., LTD. (JP) 1995-09-12 US claimed
WO-1995002491-A1 PRESERVATIVE LEE STEERE CHRISTOPHER IAN (AU) 1995-01-26 WO claimed
EP-0235192-B2 FERRULE MEMBER FOR TERMINATING FIBER OPTIC TRANSMISSION MEMBER AMP INC (US) 1994-05-04 EP claimed
CN-1076454-A With two or the coupling of many aldehyde prepare the method and the gained polycondensate of multichain section star or netted polycondensate ATOCHEM ELF SA (FR) 1993-09-22 CN claimed
US-4994627-A Purification of polyoxyalkylene glycols TEXACO CHEMICAL COMPANY (US) 1991-02-19 US claimed
EP-0235192-B1 FERRULE MEMBER FOR TERMINATING FIBER OPTIC TRANSMISSION MEMBER AMP INCORPORATED (US) 1991-01-23 EP claimed
EP-0235192-A1 FERRULE MEMBER FOR TERMINATING FIBER OPTIC TRANSMISSION MEMBER. AMP INC (US) 1987-09-09 EP claimed
WO-1987001464-A1 FERRULE MEMBER FOR TERMINATING FIBER OPTIC TRANSMISSION MEMBER AMP INCORPORATED (US) 1987-03-12 WO claimed