Water

Water

SCHEMBL1759

[Ca+2].[OH-].[OH-]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 SCHEMBL6142606 1.00
Water SCHEMBL27455594 1.00
Water SCHEMBL4114559 1.00
Water SCHEMBL29152753 1.00
Water SCHEMBL8143527 1.00
Water SCHEMBL23069276 0.82
Water SCHEMBL9347096 0.82
Potassium Ion SCHEMBL9658126 0.82
Water SCHEMBL10835633 0.82
Water SCHEMBL13835876 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 439098 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432191-B1 None US claimed
CN-119219582-A Method for preparing HMF (HMF) by taking burdock as raw material 中科国生(杭州)科技有限公司 2024-12-31 CN claimed
CN-119220477-A Domestication and cultivation method and high-density fermentation process of bifidobacterium longum 河北一然生物科技股份有限公司 2024-12-31 CN claimed
CN-119186423-A Resin microsphere for sensitization of emulsion explosive and application thereof 广东南虹民爆有限公司 2024-12-27 CN claimed
CN-119191618-A Method for recycling ferric phosphate from chemical nickel plating waste liquid 乐清力川环保科技有限公司 2024-12-27 CN claimed
CN-119181807-A Positive electrode current collector, secondary battery and electricity utilization device 欣旺达动力科技股份有限公司 2024-12-24 CN claimed
US-12171260-B2 Aerosol generation Nicoventures Trading Limited (GB) 2024-12-24 US claimed
CN-119177134-A Biomass-based ionic liquid modified carbon quantum dot, preparation method thereof and composite lubricant 陕西科技大学 2024-12-24 CN claimed
CN-119161149-A Slag soil type construction waste regenerated permeable concrete and preparation method thereof 禹智环保科技(深圳)有限公司 2024-12-20 CN claimed
EP-3957709-B1 METHOD OF MANUFACTURING CALCIUM MAGNESIUM SULFONATE GREASES NCH CORP (US) 2024-12-18 EP claimed
US-3940265-A Recovery of lead from battery scrap THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE INTERIOR (US) 1976-02-24 US claimed
US-3939117-A Process for producing a polyarylene ester SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-02-17 US claimed
US-3936546-A Prolonging the stability of coating baths AMCHEM PRODUCTS, INC. (US) 1976-02-03 US claimed
US-3936375-A Process for dewatering a proteinaceous, aqueous sludge and for removing and recovering precipitating agents from a precipitate containing proteinaceous substances A/S APOTHEKERNES LABORATORIUM FOR SPECIALPRAEPARATER (NO) 1976-02-03 US claimed
US-3933731-A GYPSUM ANDOR CALCIUM SULFITE, CALCIUM HYDROXIDE JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) 1976-01-20 US claimed
US-3932497-A HYDROGENATION OF P-AMINOMETHYL BENZOIC ACID, RUTHENIUM CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-01-13 US claimed
US-3932334-A LOW POLLUTANT PHENOL-FORMALDEHYDE RESINS, LOW MONOMETHYLOLPHENOL - HIGH O,P-DIMETHYLOLPHENOL CONTENT DEUZEMAN HENDRIK H J 1976-01-13 US claimed
US-3930998-A NITROGEN REMOVAL STERLING DRUG INC. (US) 1976-01-06 US claimed
US-3931190-A OF 2,6-DICHLOROPYRIDINE WITH ZINC, IRON, COBALT OR ALUMINUM OLIN CORPORATION (US) 1976-01-06 US claimed
US-3930883-A ZINC-CONTAINING ELECTRODE RHEINISCH-WESTFALISCHES ELEKTRIZITALSWERK AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed