Water

Water

SCHEMBL3145485

Cl[Pb]Cl.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
Water SCHEMBL28937143 1.00
Water SCHEMBL25193163 1.00
SCHEMBL24664 0.89
Hydrochloric Acid SCHEMBL10879006 0.80
Iodide SCHEMBL17199716 0.80
SCHEMBL30475202 0.80
SCHEMBL11660701 0.80
SCHEMBL19283476 0.80
SCHEMBL11312411 0.80
SCHEMBL30777473 0.80

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259479-A1 SALT HYDRATE COMPOSITIONS FOR THERMAL ENERGY STORAGE SYSTEMS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-18 US claimed
EP-1198423-A4 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER SHEETS RICHARD G (US) 2005-04-06 EP claimed
US-20020113017-A1 Reclamation of materials in a closed environment with remedial water SHEETS RICHARD G (US) 2002-08-22 US claimed
EP-1198423-A1 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER Sheets, Richard G. (US) 2002-04-24 EP claimed
WO-2000071476-A1 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER SHEETS RICHARD G (US) 2000-11-30 WO claimed
CN-113480996-B Crystalline state hydroxide coated perovskite nanocrystalline and preparation method and application thereof 河北工业大学(CN) 2023-01-13 CN disclosed
US-20220259479-A1 SALT HYDRATE COMPOSITIONS FOR THERMAL ENERGY STORAGE SYSTEMS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-18 US disclosed
CN-113480996-A Crystalline state hydroxide coated perovskite nanocrystalline and preparation method and application thereof 河北工业大学 2021-10-08 CN disclosed
US-9718698-B2 Hydrotalcite-like particulate material and method for production thereof JDC CORPORATION (JP) 2017-08-01 US disclosed
EP-2055675-B1 HYDROTALCITE-LIKE PARTICULATE MATERIAL AND METHOD FOR PRODUCTION THEREOF JAPAN DEV & CONSTRUCTION (JP) 2015-09-30 EP disclosed
US-20100075847-A1 Hydrotalcite-like Particulate Material and Method for Production Thereof JDC CORPORATION (JP) 2010-03-25 US disclosed
EP-2055675-A1 HYDROTALCITE-LIKE PARTICULATE MATERIAL AND METHOD FOR PRODUCTION THEREOF JDC Corporation (JP) 2009-05-06 EP disclosed
EP-1198423-A4 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER SHEETS RICHARD G (US) 2005-04-06 EP disclosed
US-6869539-B2 Reclamation of materials in a closed environment with remedial water SHEETS RICHARD G (US) 2005-03-22 US disclosed
US-20020113017-A1 Reclamation of materials in a closed environment with remedial water SHEETS RICHARD G (US) 2002-08-22 US disclosed
CN-1351575-A Reclamation of materials with remedial water in a closed environment RICHARD G SHEETS (US) 2002-05-29 CN disclosed
EP-1198423-A1 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER Sheets, Richard G. (US) 2002-04-24 EP disclosed
WO-2000071476-A1 RECLAMATION OF MATERIALS IN A CLOSED ENVIRONMENT WITH REMEDIAL WATER SHEETS RICHARD G (US) 2000-11-30 WO disclosed