Water

Water

SCHEMBL117189

O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2]

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 SCHEMBL4957698 1.00
Water SCHEMBL2295403 1.00 KDM3A (0.33)
Water SCHEMBL225664 1.00
Water SCHEMBL9317506 1.00 KDM3A (0.33)
Water SCHEMBL7546680 1.00
Water SCHEMBL6343678 1.00
Water SCHEMBL6308023 1.00
Water SCHEMBL2708008 1.00 KDM3A (0.33)
Water SCHEMBL1552649 1.00
Water SCHEMBL28312514 0.87

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 14550 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118064890-B Preparation process of titanium anode for electrolytic copper foil Zhongrui Guoneng Technology (Dongguan) Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-119352085-B Cocatalyst/heterostructure/tungsten trioxide photo-anode integrated structure and preparation method and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2026-05-26 CN claimed
CN-122078027-A Flexible connecting band of wearable electronic equipment 2026-05-26 CN claimed
CN-122076969-A Powder alloy for preparing automobile gear and preparation method thereof 2026-05-26 CN claimed
CN-122081987-A Oxygen evolution catalyst, preparation method thereof, anode and electrolysis device 2026-05-26 CN claimed
CN-122079967-A Process for catalytic synthesis of acetylenggliflozin and active carrier catalyst 2026-05-26 CN claimed
CN-122076464-A Nanocomposite and preparation method and application thereof 2026-05-26 CN claimed
CN-122082010-A NiFe-LDH-based catalyst and preparation method and application thereof 2026-05-26 CN claimed
CN-122082029-A Heterogeneous type electrocatalytic NADH regeneration catalyst and preparation method and application thereof 2026-05-26 CN claimed
CN-122079651-A Preparation method of ultrahigh-temperature ceramic nanowire reinforced ceramic matrix composite material 2026-05-26 CN claimed
US-4177164-A ZEOLITE CONTAINING OXIDES OF NICKEL AND RARE EARTH ELEMENTS PHILLIPS PETROLEUM COMPANY (US) 1979-12-04 US claimed
EP-0002824-A1 Rhenium containing hydroalkylation catalyst, process for its production and its use PHILLIPS PETROLEUM COMPANY (US) 1979-07-11 EP claimed
US-4152362-A OF A MONOCYCLIC AROMATIC HYDROCARBON PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 US claimed
US-4122125-A AROMATIC HYDROCARBONS PHILLIPS PETROLEUM COMPANY (US) 1978-10-24 US claimed
US-4118434-A Hydroalkylation using multimetallic zeolite catalyst PHILLIPS PETROLEUM COMPANY (US) 1978-10-03 US claimed
US-4094918-A PRODUCTION OF CYCLOALKYL AROMATIC HYDROCARBONS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
US-4094920-A PRODUCTION OF CYCLOALKYL AROMATIC HYDROCARBONS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
US-4093671-A Hydroalkylation using multi-metallic zeolite catalyst PHILLIPS PETROLEUM COMPANY (US) 1978-06-06 US claimed
US-4089676-A HYDRAZINE, ALKALI METAL BASE, CONTROLLED GEOMETRY WILLIAMS GOLD REFINING COMPANY INCORPORATED (US) 1978-05-16 US claimed
US-3969317-A Particulate metallic nickel ultraviolet stabilizer for polypropylene CHEVRON RESEARCH COMPANY (US) 1976-07-13 US claimed