Water

Water

SCHEMBL1666714

O.OP(O)O

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 SCHEMBL28110784 1.00
Water SCHEMBL27381094 1.00
Water SCHEMBL21142944 1.00
Water SCHEMBL11274603 1.00
Ammonia Solution, Strong SCHEMBL11599268 0.91
Water SCHEMBL15124695 0.91
Water SCHEMBL7938576 0.91
Water SCHEMBL9640127 0.91
Water SCHEMBL15124445 0.91
Ammonia Solution, Strong SCHEMBL11599274 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638495-A Acidolysis product of medium-low grade phosphorite, and preparation method and application thereof 中国农业大学 2025-03-18 CN claimed
CN-111408369-A Nano gold-platinum bimetallic @ carbon material oxygen reaction catalyst and preparation method thereof 桂林理工大学 2020-07-14 CN claimed
EP-2102107-B1 NOVEL ZINC-CONTAINING CALCIUM-ALUMINIUM DOUBLE SALTS NABALTEC AG (DE) 2016-03-16 EP claimed
WO-2011042610-A1 BIO-ADHESIVE AND WOOD BOARD UPM-KYMMENE WOOD OY (FI) 2011-04-14 WO claimed
JP-11263875-A None JP disclosed
CN-119638495-A Acidolysis product of medium-low grade phosphorite, and preparation method and application thereof 中国农业大学 2025-03-18 CN disclosed
CN-115667383-B Flame retardant-stabilizer combinations for thermoplastic polymers 科莱恩国际有限公司 2024-08-27 CN disclosed
WO-2021112416-A1 WATER-DISPERSIBLE ANIONIC POLYMER DISPERSION OF HIGH MOLECULAR WEIGHT AND METHOD FOR PRODUCING SAME 주식회사 한솔케미칼 2021-06-10 WO disclosed
CN-111408369-A Nano gold-platinum bimetallic @ carbon material oxygen reaction catalyst and preparation method thereof 桂林理工大学 2020-07-14 CN disclosed
EP-3652241-A1 ADDITIVE MIXTURES FOR PLASTICS, LASER-MARKABLE POLYMER COMPOSITIONS CONTAINING SAME AND USE THEREOF Clariant Plastics & Coatings Ltd (CH) 2020-05-20 EP disclosed
EP-3371239-A1 METHOD FOR PRODUCING AN AQUEOUS BINDER BASF SE (DE) 2018-09-12 EP disclosed
CN-107207544-A Phosphorous acid compound, process for producing the same, and use thereof 住友化学株式会社 2017-09-26 CN disclosed
JP-H11263875-A STABILIZER COMPOSITION, COMPOSITION COMPRISING THE SAME AND CHLORINE-CONTAINING POLYMER, AND STABILIZATION METHOD FOR CHLORINE-CONTAINING POLYMER WITCO VINYL ADDITIVES GMBH 1999-09-28 JP disclosed
CN-1080273-A Partial hydrogenation aromatic hydrocarbons is produced improving one's methods of cycloolefin and the catalyzer through washing CATALYTICA INC (US) 1994-01-05 CN disclosed
CN-1080274-A The method and the catalyzer that the aromatic hydrocarbons partial hydrogenation are prepared cycloolefin CATAIYTICA INC (US) 1994-01-05 CN disclosed
US-5202056-A Blends of polyoxypropylene glycol phosphites as solubilizers or compatibilizers during refining TEXACO INC. (US) 1993-04-13 US disclosed
EP-0097152-A4 POLYPHENYLENE ETHER PHOSPHITES. GEN ELECTRIC (US) 1984-04-17 EP disclosed
EP-0097152-A1 POLYPHENYLENE ETHER PHOSPHITES GENERAL ELECTRIC COMPANY (US) 1984-01-04 EP disclosed
WO-1983002117-A1 POLYPHENYLENE ETHER PHOSPHITES GEN ELECTRIC (US) 1983-06-23 WO disclosed
US-4080317-A POLYESTERS CIBA-GEIGY AG (CH) 1978-03-21 US disclosed