Water

Water

SCHEMBL250793

N[O].N[O].O

nearest known ligand 0.00

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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
SCHEMBL23151 0.87
Methane SCHEMBL27559339 0.75
SCHEMBL27658734 0.75
SCHEMBL27304515 0.75
Ammonia Solution, Strong SCHEMBL28031786 0.75
Methylamine SCHEMBL27543125 0.67
Hydroxyamine SCHEMBL7064714 0.67
Water SCHEMBL374300 0.58
Water SCHEMBL6244833 0.58
Water SCHEMBL8154244 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043047-B2 Process for producing dichroic security features for securing value documents SICPA HOLDING SA (CH) 2024-07-23 US claimed
US-20240182746-A1 POLYMER COMPOSITION COMPRISING POLYACRYLIC BLOCK COPOLYMER AND AROMATIC BASED POLYALKYLENEOXIDE AS DISPERSANT BASF SE (DE) 2024-06-06 US claimed
EP-4337734-A1 COMPOSITIONS, COMPRISING PLATELET-SHAPED TRANSITION METAL PARTICLES BASF SE (DE) 2024-03-20 EP claimed
WO-2024054757-A1 METHODS OF FORMING HALOBUTYL ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-03-14 WO claimed
EP-4139131-B1 PROCESS FOR PRODUCING DICHROIC SECURITY FEATURES FOR SECURING VALUE DOCUMENTS SICPA HOLDING SA (CH) 2024-02-14 EP claimed
EP-4314155-A1 POLYMER COMPOSITION COMPRISING POLYACRYLIC BLOCK COPOLYMER AND AROMATIC BASED POLYALKYLENEOXIDE AS DISPERSANT BASF SE (DE) 2024-02-07 EP claimed
CN-117321151-A Composition comprising flaky transition metal particles 巴斯夫欧洲公司 2023-12-29 CN claimed
EP-4288229-A1 COMPOSITIONS, COMPRISING SILVER NANOPLATELETS BASF SE (DE) 2023-12-13 EP claimed
CN-115443218-B Method for producing a dichroic security feature for protecting a value document 锡克拜控股有限公司 2023-12-12 CN claimed
CN-117203007-A Composition comprising silver nanoplates 巴斯夫欧洲公司 2023-12-08 CN claimed
WO-2003022895-A1 PROCESS FOR THE PREPARATION OF HYDROXY-VINYL-AROMATIC POLYMERS OR COPOLYMERS BY ANIONIC OR CONTROLLED RADICAL POLYMERIZATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 WO claimed
US-6521710-B1 Grafting of ethylenically unsaturated monomers onto polymers CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-18 US claimed
CN-1391594-A Composition and method for color improvement of nitroxyl containing polymers CIBA SC HOLDING AG (CH) 2003-01-15 CN claimed
EP-1232212-A1 COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS Ciba SC Holding AG (CH) 2002-08-21 EP claimed
WO-2002038632-A1 (CO)POLYMERIZATION OF VINYL CHLORIDE IN THE PRESENCE OF A STABLE NITROXYL RADICAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-16 WO claimed
WO-2002024762-A1 COMPOSITION AND PROCESS FOR ENHANCING CONTROLLED FREE RADICAL POLYMERIZATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-28 WO claimed
CN-1315970-A Grafting of ethylenically unsaturated monomers onto polymers CIBA SC HOLDING AG (CH) 2001-10-03 CN claimed
EP-1115766-A1 GRAFTING OF ETHYLENICALLY UNSATURATED MONOMERS ONTO POLYMERS Ciba SC Holding AG (CH) 2001-07-18 EP claimed
WO-2001038431-A1 COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-05-31 WO claimed
WO-2000014135-A1 GRAFTING OF ETHYLENICALLY UNSATURATED MONOMERS ONTO POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-16 WO claimed