Water

Water

SCHEMBL829247

O.O.O.[Al+3].[F-].[F-].[F-]

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 SCHEMBL2023230 1.00
Water SCHEMBL17336047 1.00 CA4 (0.33)
Water SCHEMBL20593975 0.87
Water SCHEMBL27704848 0.87
Water SCHEMBL28140191 0.87
Fluoride SCHEMBL27267635 0.87
Water SCHEMBL3629339 0.87
Water SCHEMBL7094419 0.82
Water SCHEMBL11001372 0.82
Water SCHEMBL7094115 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 546 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485403-B2 Metallic nanoparticle catalysts embedded in porous oxide support, which show high catalytic activity even at low temperatures QUANTUM CAT CO., LTD. (KR) 2025-12-02 US claimed
US-12418192-B2 Rechargeable aluminum ion battery Alsym Energy, Inc. (US) 2025-09-16 US claimed
WO-2025120305-A1 HEAT-ABSORBING MATERIALS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-06-12 WO claimed
CN-120057965-A Preparation method of high-purity particle aluminum fluoride trihydrate 锦洋高新材料股份有限公司 2025-05-30 CN claimed
CN-118876327-B Processing method of alloy composite part based on nano injection molding 东莞市禹坤纳米注塑技术有限公司 2025-05-30 CN claimed
CN-120004300-A Method for reducing content of fine powder and metal impurities in aluminum fluoride product 广西平果和泰科技有限公司 2025-05-16 CN claimed
CN-119725492-A Composite graphite material, preparation method thereof, pole piece, application and lithium ion battery 上海杉杉科技有限公司 2025-03-28 CN claimed
CN-118853019-B Release film for ultra-light optical cement and preparation process thereof 泰兴联创绝缘材料有限公司 2025-02-11 CN claimed
CN-119320154-A Preparation method of aluminum fluoride crystal 天津大学 2025-01-17 CN claimed
CN-119263877-A Alumina porous ceramic with hierarchical porous structure and preparation method thereof 天津理工大学 2025-01-07 CN claimed
CN-1032419-C Three section combined dehydrating process for producing waterless aluminium fluoride KUANG CHANGPING (CN) 1996-07-31 CN claimed
EP-0606447-A4 METHOD FOR PRODUCING TETRAFLUOROSILANE AND ALUMINUM FLUORIDE BY HYDROFLUORIC ACID DIGESTION OF SILICA/ALUMINA MATRIX. GEHRINGER RONALD C (US) 1994-08-24 EP claimed
EP-0606447-A1 METHOD FOR PRODUCING TETRAFLUOROSILANE AND ALUMINUM FLUORIDE BY HYDROFLUORIC ACID DIGESTION OF SILICA/ALUMINA MATRIX. GEHRINGER RONALD C (US) 1994-07-20 EP claimed
US-5318764-A Processes of producing potassium fluoroaluminates ADVANCE RESEARCH CHEMICALS, INC. (US) 1994-06-07 US claimed
EP-0597652-A1 Processes of producing potassium fluoroaluminates Solvay Fluorides, Inc. (US) 1994-05-18 EP claimed
WO-1994001364-A1 METHOD FOR PRODUCING TETRAFLUOROSILANE AND ALUMINUM FLUORIDE BY HYDROFLUORIC ACID DIGESTION OF SILICA/ALUMINA MATRIX GEHRINGER RONALD C (US) 1994-01-20 WO claimed
CN-1079446-A Three section combined dehydrating process for producing waterless aluminium fluoride KUANG CHANGPING (CN) 1993-12-15 CN claimed
US-5252272-A Mixing aluminum fluoride hydrates, silicon dioxide, binders, firing yields topaz, then adding more of above materials to topaz and firing again yields mullite whiskers , ENGELHARD CORPORATION (US) 1993-10-12 US claimed
US-5242670-A Processing spent zeolite catalyst GEHRINGER RONALD C (US) 1993-09-07 US claimed
US-3991171-A Dehydration of aluminum fluoride hydrates CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1976-11-09 US claimed