Water

Water

SCHEMBL170031

O.[H+]

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 SCHEMBL16439996 1.00
Water SCHEMBL9279752 1.00
Water SCHEMBL21352203 1.00
Water SCHEMBL21568686 1.00
Water SCHEMBL21612684 1.00
Water SCHEMBL18051154 1.00
Water SCHEMBL28415711 1.00
Water SCHEMBL23044793 0.82
Hydrochloric Acid SCHEMBL22345685 0.82
Methane SCHEMBL21049192 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

Appears in 2896 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120057852-A Method and equipment for storing hydrogen by utilizing seawater 清华大学深圳国际研究生院 2025-05-30 CN claimed
CN-119858896-A Defect repair control method and system for hydrogen hydrate crystal lattice 郑州轻工业大学 2025-04-22 CN claimed
CN-116216632-B Method for increasing weight hydrogen storage amount of hydrogen hydrate 清华大学深圳国际研究生院 2025-03-21 CN claimed
CN-119468051-A Hydrate solid-state composite hydrogen storage control method and system 郑州轻工业大学 2025-02-18 CN claimed
CN-119435975-A Hydrogen hydrate composite hydrogen storage layer and preparation method and preparation system thereof 郑州轻工业大学 2025-02-14 CN claimed
WO-2024211041-A2 HYDROGEN STORAGE MATERIALS AND METHODS OF USE THEREOF UNIVERSITY OF HOUSTON SYSTEM (US) 2024-10-10 WO claimed
EP-4384229-A1 FILMS FORMED FROM SELF-ASSEMBLING PEPTIDE HYDROGELS Gel4Med, Inc. (US) 2024-06-19 EP claimed
CN-118149263-A Hydrogen composite storage method and device, program product and composite solid hydrogen storage equipment 郑州轻工业大学 2024-06-07 CN claimed
CN-117985654-A Offshore wind power hydrogen production coupling hydrate method solid-state hydrogen storage system and hydrogen storage method 清华大学深圳国际研究生院 2024-05-07 CN claimed
CN-117942351-A Use of hydrogen storage materials for the preparation of articles for wound treatment or skin care 北京工业大学 2024-04-30 CN claimed
US-4701326-A INSECTICIDES PLANT GENETICS, INC. (US) 1987-10-20 US claimed
US-4666249-A Surface-treated contact lens and method of producing SOLA U.S.A. INC. (US) 1987-05-19 US claimed
EP-0220667-A2 Hydrogel encapsulated nematodes PLANT GENETICS, INC. (US) 1987-05-06 EP claimed
US-4634722-A CONTACT LENSES FROM PROTECTED ACRYLIC ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1987-01-06 US claimed
US-4615883-A ASSOCIATED INTESTINAL BACTERIA; RELEASED TO INSECT HOST PRODUCING FATAL SEPTICEMIA; INSECTICIDES PLANT GENETICS, INC. (US) 1986-10-07 US claimed
US-4587284-A DRYING WITH BASE ED. GEISTLICH SOHNE AG FUR CHEMISCHE INDUSTRIE (CH) 1986-05-06 US claimed
US-4583320-A Delivery system for meristematic tissue PLANT GENETICS, INC. (US) 1986-04-22 US claimed
EP-0165074-A2 Absorbent polymer material and its preparation ED. GEISTLICH SÖHNE AG FÜR CHEMISCHE INDUSTRIE (CH) 1985-12-18 EP claimed
EP-0131353-A2 Self-draining heat exchanger arrangement for a metal-halogen battery system, and method of putting it into practice Energy Development Associates Inc. (US) 1985-01-16 EP claimed
US-4469762-A FOR A METAL HALOGEN BATTERY, DECOMPOSITION OF HALOGEN HYDRATE ENERGY DEVELOPMENT ASSOCIATES, INC. (US) 1984-09-04 US claimed