Water

Water

SCHEMBL369703

O.O=[SH2]=O.O=[SH2]=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
Oxygen SCHEMBL29601487 0.52
Oxygen SCHEMBL4741850 0.52
Oxygen SCHEMBL29653623 0.52
SCHEMBL9235412 0.45
Water SCHEMBL2121635 0.45
Water SCHEMBL16244 0.45
Water O 15 SCHEMBL25428717 0.45
Water SCHEMBL23064112 0.45
Formaldehyde SCHEMBL23581487 0.45
Water SCHEMBL4407393 0.45

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338480-A1 A SYSTEM TO IMPROVE HAEMOSTATIC CONTROL TISSUE-LINK APS (DK) 2023-10-26 US claimed
EP-4213865-A1 A SYSTEM TO IMPROVE HAEMOSTATIC CONTROL Tissue-Link ApS (DK) 2023-07-26 EP claimed
EP-4134158-A1 LIGAND LINKER SUBSTRATE 3M Innovative Properties Company (US) 2023-02-15 EP claimed
EP-4134157-A1 USE OF LIGAND LINKER SUBSTRATE FOR PURIFICATION CHRETO ApS (DK) 2023-02-15 EP claimed
US-20220048010-A1 Ligand linker substrate 3M INNOVATIVE PROPERTIES COMPANY 2022-02-17 US claimed
EP-3897972-A1 LIGAND LINKER SUBSTRATE CHRETO ApS (DK) 2021-10-27 EP claimed
WO-2020127311-A1 LIGAND LINKER SUBSTRATE CHRETO APS (DK) 2020-06-25 WO claimed
US-20200138688-A1 Composition For Enhancing Protein Strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-05-07 US claimed
EP-0202498-B1 USE OF A THERMO-SETTING, POLYMERIZABLE COMPOSITION AND WIRING BOARD HITACHI, LTD. (JP) 1990-07-11 EP claimed
US-4738900-A HEAT RESISTANT DIELECTRIC LAYER OF A POLYMER OF AN AROMATIC DIMALEIMIDE AND AN AROMATIC DICYANAMIDE HITACHI, LTD. (JP) 1988-04-19 US claimed
EP-0202498-A2 Use of a thermo-setting, polymerizable composition and wiring board HITACHI, LTD. (JP) 1986-11-26 EP claimed
JP-10158235-A None JP disclosed
EP-4134158-B1 LIGAND LINKER SUBSTRATE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-05-15 EP disclosed
US-11975091-B2 Composition for enhancing protein strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2024-05-07 US disclosed
US-11957835-B2 Exchanger assembly for respiratory treatment ResMed Pty Ltd (AU) 2024-04-16 US disclosed
US-4546168-A POLYMERIZABLE EPOXY COMPOUNDS, PHENOLIC COMPOUNDS, AND TRIALLYL ISOCYANURATE COMPOUNDS HITACHI, LTD. (JP) 1985-10-08 US disclosed
US-4482703-A Thermosetting resin composition comprising dicyanamide and polyvalent imide HITACHI, LTD. (JP) 1984-11-13 US disclosed
US-4474932-A Process for the production of aromatic ethers and aromatic polyethers BAYER AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed
EP-0078039-A1 Thermosetting resin composition, prepolymer thereof and cured article thereof Hitachi, Ltd. (JP) 1983-05-04 EP disclosed
US-3960815-A DIELECTRICS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed