Water

Water

SCHEMBL728285

O.O=C(O)c1ccco1

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
SCHEMBL3811314 0.97 CES2 (0.68)
SCHEMBL24446 0.97
Hydrochloric Acid SCHEMBL753936 0.95
SCHEMBL9580893 0.95 CES2 (0.65)
Cesium SCHEMBL30912038 0.95
SCHEMBL25196785 0.95
Ammonia Solution, Strong SCHEMBL6719610 0.95
SCHEMBL25212901 0.95
SCHEMBL3467845 0.95
Ammonia Solution, Strong SCHEMBL30994934 0.95 CES2 (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103269687-A Bepotastine compositions ISTA PHARMACEUTICALS INC 2013-08-28 CN claimed
CN-102499928-A Pharmaceutical formulation comprising an antibiotic, a triazole and a corticosteroid SCHERING PLOUGH LTD 2012-06-20 CN claimed
JP-4792032-B2 2011-10-12 JP claimed
CN-102202713-A Light blocking container with viewing window for photosensitive compounds SCHERING CORP 2011-09-28 CN claimed
CN-102202979-A Light blocking container with content viewing window and contrast background SCHERING CORP 2011-09-28 CN claimed
CN-102036655-A Method for minimizing polymorphism SCHERER TECHNOLOGIES INC R P 2011-04-27 CN claimed
CN-101443018-A Sterilized nanoparticulate glucocorticosteroid formulations ELAN PHARMA INT LTD (IE) 2009-05-27 CN claimed
EP-1776109-B1 PHARMACEUTICAL FORMULATION COMPRISING AN ANTIBIOTIC, A TRIAZOLE AND A CORTICOSTEROID SCHERING PLOUGH LTD (CH) 2008-12-31 EP claimed
CN-101180038-A Nanoparticulate corticosteroid and antihistamine formulations ELAN PHARMA INT LTD (IE) 2008-05-14 CN claimed
CN-101039668-A Pharmaceutical formulations comprising an antibiotic, a triazole and a corticosteroid SCHERING PLOUGH LTD (CH) 2007-09-19 CN claimed
EP-1776109-A1 PHARMACEUTICAL FORMULATION COMPRISING AN ANTIBIOTIC, A TRIAZOLE AND A CORTICOSTEROID Schering-Plough Ltd. (CH) 2007-04-25 EP claimed
WO-2006020689-A1 PHARMACEUTICAL FORMULATION COMPRISING AN ANTIBIOTIC, A TRIAZOLE AND A CORTICOSTEROID SCHERING-PLOUGH LTD. (CH) 2006-02-23 WO claimed
US-6956030-B2 Use of mometasone furoate for treating upper airway diseases SCHERING CORPORATION (US) 2005-10-18 US claimed
WO-2005089171-A2 PROTOCOL FOR IMPROVING VISION MULLALLY JOHN P (US) 2005-09-29 WO claimed
US-20040192660-A1 Protocol for improving vision MULLALLY JOHN P (US) 2004-09-30 US claimed
WO-2004080414-A2 COMPOSITION AND METHOD FOR TREATING INFLAMMATIONS BY REDUCING C-REACTIVE PROTEIN MULLALLY JOHN P (US) 2004-09-23 WO claimed
US-20040180868-A1 Composition and method for treating inflammations by reducing C-reactive protein MULLALLY JOHN P (US) 2004-09-16 US claimed
EP-4696353-A2 NASAL DRUG DELIVERY APPARATUS Pneuma Respiratory, Inc. (US) 2026-02-18 EP disclosed
EP-0217748-B1 2-Substituted-e-fused-[1,2,4,]triazolo-[1,5-c]pyrimidines pharmaceutical compositions and uses thereof CIBA-GEIGY AG (CH) 1991-02-06 EP disclosed
EP-0217748-A2 2-Substituted-e-fused-[1,2,4,]triazolo-[1,5-c]pyrimidines pharmaceutical compositions and uses thereof CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed