Water

Water

SCHEMBL297045

O.O=[Zr]

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 SCHEMBL28856963 1.00
Water SCHEMBL8395021 1.00
Water SCHEMBL10788052 1.00
Bromide SCHEMBL2231707 0.89
Hydrochloric Acid SCHEMBL523015 0.89
Hydrochloric Acid SCHEMBL3690953 0.89
Water SCHEMBL7048767 0.89
Fluoride SCHEMBL2232908 0.89
Iodide SCHEMBL2231625 0.89
Water SCHEMBL28530228 0.89

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 1371 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616785-B2 Sorbent regeneration cartridge for dialysis DIALITY INC. (US) 2026-05-05 US claimed
EP-4611835-A1 SORBENT DEVICE FOR REGENERATION OF DIALYSATE NextKidney SA (CH) 2025-09-10 EP claimed
WO-2024095195-A1 SORBENT DEVICE FOR REGENERATION OF DIALYSATE NEXTKIDNEY SA (CH) 2024-05-10 WO claimed
EP-4346937-A1 SORBENT REGENERATION CARTRIDGE FOR DIALYSIS Diality Inc. (US) 2024-04-10 EP claimed
US-20230380944-A1 DENTAL CERAMIC COLORING SOLUTION KURARAY NORITAKE DENTAL INC (JP) 2023-11-30 US claimed
US-20230365485-A1 PROCESS FOR PRODUCING LEVULINIC ACID BIO ON S.P.A. (IT) 2023-11-16 US claimed
EP-4223272-A1 DENTAL CERAMIC COLORING SOLUTION Kuraray Noritake Dental Inc. (JP) 2023-08-09 EP claimed
CN-116559365-A Online monitoring system and method for oxygen content of pulverized coal boiler 贵州乌江水电开发有限责任公司 2023-08-08 CN claimed
EP-4217336-A1 PROCESS FOR PRODUCING LEVULINIC ACID Bio-On S.p.A. (IT) 2023-08-02 EP claimed
CN-116261434-A Ceramic coloring solution for dentistry 可乐丽则武齿科株式会社 2023-06-13 CN claimed
CN-1015439-B REACTIVE DERIVATIVE OF ZIRCONIUM AND ITS PREPARATION EUROP PROD REFRACT (FR) 1992-02-12 CN claimed
EP-0382049-B1 CATALYST AND PROCESS FOR THE HYDROAMINATION OF ALCOHOLS BASF Aktiengesellschaft (DE) 1991-12-18 EP claimed
US-5002749-A Process for the manufacture of zirconium oxide hydrate from granular crystallized zirconium oxide SOCIETE EUROPEENNE DES PRODUITS REFRACTAIRES (FR) 1991-03-26 US claimed
US-5002922-A Oxides of Zirconium Copper, Cobalt and/or Nickel BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US claimed
CN-1038074-A New reactive derivative of zirconium and preparation method thereof PRODUITS REFRACTAIRES (FR) 1989-12-20 CN claimed
US-4753915-A EXHAUST SYSTEMS, PLATINUM AND RHODIUM ON HONEYCOMB SUPPORT HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0149153-B1 PROCESS FOR PRODUCING AQUEOUS HYDROXYLAMINE SOLUTIONS BASF Aktiengesellschaft (DE) 1988-06-01 EP claimed
US-4645579-A Preparation of aqueous hydroxylamine solutions BASF AKTIENGSELLSCHAFT (DE) 1987-02-24 US claimed
US-4362626-A Ion exchanger of hydrated oxide of Ti, Zr, or Sn and cured polyester, and exchange method TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-12-07 US claimed
US-4042672-A Process for preparing carbonated zirconium oxide hydrate TH. GOLDSCHMIDT AG (DT) 1977-08-16 US claimed