Water

Water

SCHEMBL4586552

[Na+].[Na+].[O-]B(O)O.[OH-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
Potassium Ion SCHEMBL8105611 0.94
Boric Acid SCHEMBL4598480 0.94 LMNA (0.44)
Water SCHEMBL11331779 0.94 LMNA (0.30)
SCHEMBL379186 0.94
SCHEMBL15203802 0.94 LMNA (0.38)
Boric Acid SCHEMBL27382680 0.89 LMNA (0.40)
SCHEMBL179714 0.88
Water SCHEMBL2693536 0.88
Water SCHEMBL5327631 0.88
Water SCHEMBL2696061 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113862250-A Immobilization method of chitosanase 黄河三角洲京博化工研究院有限公司 2021-12-31 CN claimed
US-5654156-A PREPARING REAGENT COMPRISING LIPOSOMES CONTAINING ANTIGEN OR ANTIBODY WHICH BINDS ANALYTE TO BE MEASURED, ENCAPSULATING MARKER THEREIN, ACIDIFYING SAMPLE, CONTACTING SAMPLE WITH REAGENT, MEASURING AMOUNT OF DETECTABLE MARKER RELEASED WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US claimed
CN-117701887-A Leaching process of waste lithium ion battery anode material 兰溪博观循环科技有限公司 2024-03-15 CN disclosed
CN-117679361-A Travoprost ophthalmic micelle solution and production method thereof 南京海纳制药有限公司 2024-03-12 CN disclosed
CN-117210431-A Heat stability aminotransferase mutant, engineering bacteria thereof and application 浙江工业大学 2023-12-12 CN disclosed
CN-115261265-B Alkaline protease high-yield strain and fermentation process thereof 黄河三角洲京博化工研究院有限公司 2023-07-14 CN disclosed
CN-115261265-A Alkaline protease high-producing strain and fermentation process thereof 黄河三角洲京博化工研究院有限公司 2022-11-01 CN disclosed
CN-113862250-A Immobilization method of chitosanase 黄河三角洲京博化工研究院有限公司 2021-12-31 CN disclosed
CN-106748859-B A kind of preparation method of Ioversol 江苏恒瑞医药股份有限公司 2018-10-26 CN disclosed
CN-106278929-B A kind of preparation method of Ioversol 江苏恒瑞医药股份有限公司 2017-09-08 CN disclosed
CN-106278929-A A kind of preparation method of ioversol 江苏恒瑞医药股份有限公司 2017-01-04 CN disclosed
US-20070141596-A1 PLATE, DETERMINATION KIT, AND DETERMINATION METHOD FOR IMMUNOASSAY PENTAX CORPORATION (JP) 2007-06-21 US disclosed
EP-1777522-A1 Plate, kit and method for the determination of a virus infection PENTAX Corporation (JP) 2007-04-25 EP disclosed
EP-1777521-A1 Method and kit for the determination of HIV infection PENTAX Corporation (JP) 2007-04-25 EP disclosed
EP-1764411-A1 Alkaline xylanase Kao Corporation (JP) 2007-03-21 EP disclosed
US-20060270037-A1 COLLAGEN-COATED CARRIER AND METHOD FOR MANUFACTURING COLLAGEN-COATED CARRIER PENTAX CORPORATION (JP) 2006-11-30 US disclosed
CN-2720436-Y Test paper ruler for quantitative detecting water hardness SHENYANG POLYTECHNIQUE COLLEGE (CN) 2005-08-24 CN disclosed
EP-0552954-B1 Immunoassay and reagents used therefor WAKO PURE CHEM IND LTD (JP) 1998-11-25 EP disclosed
US-5654156-A PREPARING REAGENT COMPRISING LIPOSOMES CONTAINING ANTIGEN OR ANTIBODY WHICH BINDS ANALYTE TO BE MEASURED, ENCAPSULATING MARKER THEREIN, ACIDIFYING SAMPLE, CONTACTING SAMPLE WITH REAGENT, MEASURING AMOUNT OF DETECTABLE MARKER RELEASED WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed
EP-0552954-A1 Immunoassay and reagents used therefor WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed