Water

Water

SCHEMBL4405701

[Ca+2].[CaH2].[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 SCHEMBL1079183 0.87
SCHEMBL3404050 0.82
Water SCHEMBL27455594 0.82
Water SCHEMBL29152753 0.82
Water SCHEMBL8143527 0.82
Water SCHEMBL1759 0.82
Water SCHEMBL4114559 0.82
Water SCHEMBL6142606 0.82
Water SCHEMBL23069276 0.67
Water SCHEMBL13835876 0.67

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109663471-A A kind of semi-dry process flue gas desulphurization three-level minimum discharge method and apparatus 王脯胜 2019-04-23 CN claimed
WO-2023212335-A1 CEMENT FREE ACTIVATED BINDER FOR CONSTRUCTION APPLICATIONS LATICRETE INTERNATIONAL INC. (US) 2023-11-02 WO disclosed
CN-109835947-A The method for preparing aluminium titanates using the sludge that the modified wastewater treatment of aluminum profile generates 宜昌益烟机械设备有限公司 2019-06-04 CN disclosed
CN-109835996-A A kind of modified wastewater treatment method of aluminum profile 宜昌益烟机械设备有限公司 2019-06-04 CN disclosed
CN-109663471-A A kind of semi-dry process flue gas desulphurization three-level minimum discharge method and apparatus 王脯胜 2019-04-23 CN disclosed
CN-108147450-A The method that the sludge generated using aluminium section bar modification wastewater treatment prepares aluminium titanates 汤长翠 2018-06-12 CN disclosed
CN-108147477-A A kind of aluminium section bar is modified wastewater treatment method 陈伟 2018-06-12 CN disclosed
CN-107555405-A A kind of major diameter when controllable calcium phosphate nano raw powder's production technology of calcium-phosphorus ratio 北京化工大学 2018-01-09 CN disclosed
CN-107555406-A A kind of nanometer hydroxyapatite dispersion and its preparation technology 北京化工大学 2018-01-09 CN disclosed
CN-106633372-A High-strength and high-toughness environmental-protection recycled PP composite material, as well as preparation method and application thereof 暨南大学 2017-05-10 CN disclosed
CN-103833072-B Utilize the method that the mud that the modified wastewater treatment of aluminium section bar produces prepares aluminium titanates 湖州巨力铝型材有限公司 2016-06-29 CN disclosed
US-9048512-B2 Nanosized electrochemical dispersion for rechargeable alkaline zinc batteries KUMAR THOTHATHRI SAMPATH (IN) 2015-06-02 US disclosed
CN-101993026-A Quantitive slurry conveying equipment and method for conveying slurry GRIREM ADVANCED MAT CO LTD 2011-03-30 CN disclosed
US-20090311580-A1 Nanosized Electrochemical Dispersion for Rechargeable Alkaline Zinc Batteries KUMAR THOTHATHRI SAMPATH 2009-12-17 US disclosed