Water

Water

SCHEMBL1396982

F[B-](F)(F)F.O.[Cu]

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 SCHEMBL29017617 1.00
Water SCHEMBL27814888 0.93
SCHEMBL9806631 0.91
Water SCHEMBL17629249 0.91
Water SCHEMBL30488446 0.91
Water SCHEMBL17629250 0.91
SCHEMBL297416 0.91
Water SCHEMBL1465626 0.91
Water SCHEMBL230149 0.91
Water SCHEMBL7246743 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040346-A1 MULTIFUNCTIONAL COATINGS FOR USE IN WET ENVIRONMENTS GRAPHITE INNOVATION AND TECH INC (CA) 2021-02-11 US claimed
US-20200172644-A1 CORE-SHELL NANOPARTICLES AND THEIR USE IN ADHESIVE FORMULATIONS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2020-06-04 US claimed
EP-3649208-A2 CORE-SHELL NANOPARTICLES AND THEIR USE IN ADHESIVE FORMULATIONS The Provost, Fellows, Foundation Scholars, and the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2020-05-13 EP claimed
US-20190002474-A1 COMMERCIALLY VIABLE SYNTHESIS OF CANTHARIDIN AND BIOACTIVE CANTHARIDIN DERIVATIVES VERRICA PHARMACEUTICALS INC. 2019-01-03 US claimed
EP-3233865-A2 COMMERCIALLY VIABLE SYNTHESIS OF CANTHARIDIN AND BIOACTIVE CANTHARIDIN DERIVATIVES Verrica Pharmaceuticals, Inc. (US) 2017-10-25 EP claimed
WO-2016100732-A2 COMMERCIALLY VIABLE SYNTHESIS OF CANTHARIDIN AND BIOACTIVE CANTHARIDIN DERIVATIVES VERRICA PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed
US-20090048414-A1 MAGNETIC COUPLING THROUGH STRONG HYDROGEN BONDS UCHICAGO ARGONNE, LLC 2009-02-19 US claimed
EP-4339199-B1 SYNTHESIS OF CANTHARIDIN VERRICA PHARMACEUTICALS INC (US) 2026-05-20 EP disclosed
US-20260062554-A1 Stabilized Indigo Carmine Composition KINNOS INC (US) 2026-03-05 US disclosed
US-20260049173-A1 EPOXY-ALCOHOL-BASED MULTI-COMPONENT RESIN SYSTEM HILTI AKTIENGESELLSCHAFT (LI) 2026-02-19 US disclosed
US-12221452-B2 Synthesis of cantharidin VERRICA PHARMACEUTICALS INC. (US) 2025-02-11 US disclosed
US-12139470-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-12 US disclosed
EP-3768784-B1 MULTIFUNCTIONAL COATINGS FOR USE IN WET ENVIRONMENTS GRAPHITE INNOVATION AND TECH INC (CA) 2024-08-28 EP disclosed
WO-2009141443-A1 SURFACE-PROMOTED CURE OF ONE-PART RADICALLY CURABLE COMPOSITIONS LOCTITE (R&D) LIMITED (IE) 2009-11-26 WO disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 WO disclosed
US-20090048414-A1 MAGNETIC COUPLING THROUGH STRONG HYDROGEN BONDS UCHICAGO ARGONNE, LLC 2009-02-19 US disclosed
EP-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 EP disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 WO disclosed
EP-0342766-A2 Heat curable composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-23 EP disclosed