Water

Water

SCHEMBL5060546

O.O.O.O.O.O.[Dy]

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 SCHEMBL27843705 1.00
Water SCHEMBL2536501 1.00
Water SCHEMBL1511933 1.00
Bromide SCHEMBL15529658 0.82
Hydrochloric Acid SCHEMBL581287 0.82
Water SCHEMBL23088524 0.82
Hydrochloric Acid SCHEMBL15529554 0.82
Water SCHEMBL21295461 0.82
Water SCHEMBL49657 0.82
Water SCHEMBL20496099 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524831-A Dysprosium complex and preparation method and application thereof 温州大学 2022-05-24 CN claimed
EP-2848250-B1 METHOD FOR REGENERATING BONE TISSUE FELIX LTD (RU) 2016-09-07 EP claimed
CN-119875135-A Preparation method and application of water-controlled reversible dysprosium-based single-molecule magnet framework material 黄冈师范学院 2025-04-25 CN disclosed
CN-114524831-A Dysprosium complex and preparation method and application thereof 温州大学 2022-05-24 CN disclosed
EP-3402862-A1 USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS Inoventeam (FR) 2018-11-21 EP disclosed
WO-2017121958-A1 USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS INOVENTEAM (FR) 2017-07-20 WO disclosed
EP-1941279-B1 PERSISTENT LUMINESCENCE NANOPARTICLES USED IN THE FORM OF A DIAGNOSIS AGENT FOR IN VIVO OPTICAL IMAGING CENTRE NAT RECH SCIENT (FR) 2014-10-22 EP disclosed
EP-1941279-A1 PERSISTENT LUMINESCENCE NANOPARTICLES USED IN THE FORM OF A DIAGNOSIS AGENT FOR IN VIVO OPTICAL IMAGING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-09 EP disclosed
WO-2007048856-A1 PERSISTENT LUMINESCENCE NANOPARTICLES USED IN THE FORM OF A DIAGNOSIS AGENT FOR IN VIVO OPTICAL IMAGING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-03 WO disclosed