Water

Water

SCHEMBL20485673

O.[CsH].[W]

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 SCHEMBL16766415 1.00
Water SCHEMBL28329944 1.00
Water SCHEMBL23581905 1.00
Water SCHEMBL17627776 1.00
Water SCHEMBL28326 0.82
Water SCHEMBL20819968 0.82
Water SCHEMBL22749398 0.82
Water SCHEMBL21956078 0.82
Water SCHEMBL490052 0.82
Water SCHEMBL4581159 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220118712-A1 SEGMENTS IN VIRTUAL BUILD VOLUMES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-04-21 US claimed
US-11241837-B2 Segments in virtual build volumes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-02-08 US claimed
CN-104884687-B Method for preparing multifunctional polyester fiber and multifunctional polyester fiber prepared thereby 株式会社晓星 2016-12-28 CN claimed
CN-104884687-A Method for preparing multifunctional polyester fiber and multifunctional polyester fiber prepared thereby HYOSUNG CORP 2015-09-02 CN claimed
US-12460097-B2 NIR absorbing inkjet ink, method of recording AGFA-GEVAERT NV (BE) 2025-11-04 US disclosed
US-20240301226-A1 NIR Absorbing Inkjet Ink, Method of Recording AGFA-GEVAERT NV (BE) 2024-09-12 US disclosed
EP-4263732-A1 NIR ABSORBING INKJET INK, METHOD OF RECORDING AGFA-GEVAERT NV (BE) 2023-10-25 EP disclosed
US-11733676-B2 Patterns of variable opacity in additive manufacturing HEWLETT-PACKARD DEVELOPMENT COMPANY. L.P. (US) 2023-08-22 US disclosed
WO-2022154087-A1 INFORMATION DISPLAY MEDIUM MEMBER, INFORMATION DISPLAY MEDIUM, BOOKLET, LAMINATE, METHOD RELATED THERETO, METHOD FOR FORMING LATENT IMAGE CORRESPONDING TO PRINTED IMAGE ON LAMINATE, DEVICE THEREFOR, AND LAMINATE MANUFACTURED BY SAME 大日本印刷株式会社 2022-07-21 WO disclosed
WO-2022136211-A1 NIR ABSORBING INKJET INK, METHOD OF RECORDING AGFA-GEVAERT NV (BE) 2022-06-30 WO disclosed
WO-2022138512-A1 TUNGSTEN-BASED INFRARED-ABSORBING PIGMENT DISPERSION, DYEING LIQUID, FIBER PRODUCT, AND METHOD FOR TREATING FIBER PRODUCT 共同印刷株式会社 2022-06-30 WO disclosed
WO-2022102751-A1 LAMINATE, PRINT PRODUCT, AND METHOD USING LAMINATE 大日本印刷株式会社 2022-05-19 WO disclosed
EP-3606726-A1 SEGMENTS IN VIRTUAL BUILD VOLUMES Hewlett-Packard Development Company, L.P. (US) 2020-02-12 EP disclosed
WO-2020023034-A1 PATTERNS OF VARIABLE OPACITY IN ADDITIVE MANUFACTURING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-01-30 WO disclosed
WO-2020013166-A1 TONER キヤノン株式会社 2020-01-16 WO disclosed
CN-110036077-A Ink-jet primer liquid 惠普发展公司,有限责任合伙企业 2019-07-19 CN disclosed
CN-106987205-B Coating composition with heat insulation and anti-fouling functions, preparation method thereof, film with heat insulation and anti-fouling coating composition and light-transmitting plate 富创国际顾问有限公司 2019-05-21 CN disclosed
US-20180251647-A1 CURABLE INFRARED LIGHT ABSORBING PRINTING INK AND ARTICLES PREPARED WITH IT 3M INNOVATIVE PROPERTIES COMPANY 2018-09-06 US disclosed
CN-104884687-B Method for preparing multifunctional polyester fiber and multifunctional polyester fiber prepared thereby 株式会社晓星 2016-12-28 CN disclosed
CN-104884687-A Method for preparing multifunctional polyester fiber and multifunctional polyester fiber prepared thereby HYOSUNG CORP 2015-09-02 CN disclosed