Water

Water

SCHEMBL2719908

O.O.O=[N+]([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 SCHEMBL1801746 1.00
Water SCHEMBL1902537 1.00 MEN1 (0.67)
Water SCHEMBL9064824 1.00
Water SCHEMBL651560 0.94 MEN1 (0.60)
Water SCHEMBL16583208 0.94 MEN1 (0.60)
Water SCHEMBL2590832 0.94 MEN1 (0.75)
Water SCHEMBL28398822 0.94 MEN1 (0.75)
Water SCHEMBL10566608 0.94 MEN1 (0.75)
Water SCHEMBL28478211 0.94 MEN1 (0.75)
Water SCHEMBL708617 0.94 MEN1 (0.75)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115900925-A Piezoelectric-optical fiber composite ultrasonic sensor and detection method thereof 南京航空航天大学 2023-04-04 CN claimed
CN-108205246-B Electrophotographic belt and electrophotographic image forming apparatus 佳能株式会社 2021-05-07 CN claimed
EP-3336611-B1 ELECTROPHOTOGRAPHIC BELT AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KK (JP) 2019-10-02 EP claimed
US-20180173136-A1 ELECTROPHOTOGRAPHIC BELT AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-06-21 US claimed
EP-3336611-A1 ELECTROPHOTOGRAPHIC BELT AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS Canon Kabushiki Kaisha (JP) 2018-06-20 EP claimed
EP-4643991-A1 LIQUID PETROLEUM GAS PRODUCTION REACTOR AND LIQUID PETROLEUM GAS PRODUCTION REACTION DEVICE FURUKAWA ELECTRIC CO., LTD. (JP) 2025-11-05 EP disclosed
EP-4641618-A1 AGENT FOR FORMING PROTECTIVE FILM, PROTECTIVE FILM, METHOD FOR PRODUCING PROTECTIVE FILM, AND METHOD FOR PRODUCING SEMICONDUCTOR CHIP TOKYO OHKA KOGYO CO., LTD. (JP) 2025-10-29 EP disclosed
US-20250242339-A1 CATALYST FOR LIQUEFIED PETROLEUM GAS SYNTHESIS, AND METHOD FOR PRODUCING LIQUEFIED PETROLEUM GAS FURUKAWA ELECTRIC CO., LTD. (JP) 2025-07-31 US disclosed
US-20250235824-A1 EXHAUST GAS PURIFICATION CATALYST, METHOD FOR PURIFYING EXHAUST GAS, AND METHOD FOR PRODUCING EXHAUST GAS PURIFICATION CATALYST UMICORE SHOKUBAI JAPAN CO., LTD. (JP) 2025-07-24 US disclosed
CN-120202530-A Protective film forming agent, protective film, method for producing protective film, and method for producing semiconductor chip 东京应化工业株式会社 2025-06-24 CN disclosed
US-20250187926-A1 REDUCTANT AND GAS PRODUCTION METHOD SEKISUI CHEMICAL CO., LTD. (JP) 2025-06-12 US disclosed
US-20250178909-A1 REDUCTANT AND GAS PRODUCTION METHOD SEKISUI CHEMICAL CO., LTD. (JP) 2025-06-05 US disclosed
US-6150288-A FIRING SALTS OF ALUMINUM, CERIUM AND ZIRCONIUM; HEATING IN AIR KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2000-11-21 US disclosed
CN-1046543-C Hydrogenation method of hydrocarbon oil IDEMITSU KOSAN CO (JP) 1999-11-17 CN disclosed
US-5817892-A Process for producing unsaturated alcohol KAO CORPORATION (JP) 1998-10-06 US disclosed
EP-0834348-A2 Composite oxide, composite oxide carrier and catalyst KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1998-04-08 EP disclosed
CN-1146777-A Method for hydrogenation of hydrocarbon oil and fuel oil composition IDEMITSU KOSAN CO (JP) 1997-04-02 CN disclosed
EP-0752460-A1 METHOD OF HYDROTREATING HYDROCARBON OIL AND FUEL OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-01-08 EP disclosed
EP-0692832-A1 A preparing method for a nickel hydroxide for a nickel electrode, a nickel electrode supporting the nickel hydroxide, and an alkaline secondary battery FURUKAWA DENCHI KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed
US-4956392-A Reacting synthesis gas of hydrogen, carbon monoxide and/or carbon dioxide in a fluidized bed catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-09-11 US disclosed