Water

Water

SCHEMBL60895

CCCS(=O)(=O)O.O.[NaH]

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 SCHEMBL28095272 0.97 LMNA (0.45)
SCHEMBL659205 0.97
Water SCHEMBL2413970 0.97
SCHEMBL17819149 0.97
Water SCHEMBL22581599 0.94
Water SCHEMBL22581635 0.94
Ammonia Solution, Strong SCHEMBL28078283 0.94
Water SCHEMBL20994116 0.94 PTGS1 (0.43)
Ammonia Solution, Strong SCHEMBL28164274 0.94
SCHEMBL5268 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200246449-A1 INTRAVENOUS IMMUNOGLOBULIN COMPOSITIONS SPECIFIC FOR RESPIRATORY SYNCYTIAL VIRUS AND METHODS OF MAKING AND USING THE SAME NANOBIO CORPORATION (US) 2020-08-06 US claimed
WO-2018204669-A1 INTRAVENOUS IMMUNOGLOBULIN COMPOSITIONS SPECIFIC FOR RESPIRATORY SYNCYTIAL VIRUS AND METHODS OF MAKING AND USING THE SAME NANOBIO CORPORATION (US) 2018-11-08 WO claimed
US-20130011443-A1 HUMAN RESPIRATORY SYNCYTIAL VIRUS VACCINE NANOBIO CORPORATION 2013-01-10 US claimed
US-20120276182-A1 METHODS OF TREATING FUNGAL, YEAST AND MOLD INFECTIONS NANOBIO CORPORATION 2012-11-01 US claimed
US-20120219602-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION 2012-08-30 US claimed
US-20120064136-A1 ANTI-AGING AND WRINKLE TREATMENT METHODS USING NANOEMULSION COMPOSITIONS NANOBIO CORPORATION 2012-03-15 US claimed
EP-2349209-A2 NANOEMULSION THERAPEUTIC COMPOSITIONS AND METHODS OF USING THE SAME Nanobio Corporation (US) 2011-08-03 EP claimed
EP-2293787-A1 NANOEMULSIONS FOR TREATING FUNGAL, YEAST AND MOLD INFECTIONS Nanobio Corporation (US) 2011-03-16 EP claimed
EP-2280690-A2 METHODS FOR TREATING HERPES VIRUS INFECTIONS Nanobio Corporation (US) 2011-02-09 EP claimed
EP-2278997-A1 NANOEMULSION INFLUENZA VACCINE Nanobio Corporation (US) 2011-02-02 EP claimed
WO-2010036938-A2 NANOEMULSION THERAPEUTIC COMPOSITIONS AND METHODS OF USING THE SAME NANOBIO CORPORATION (US) 2010-04-01 WO claimed
US-20100075914-A1 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION 2010-03-25 US claimed
US-20090304799-A1 NANOEMULSION INFLUENZA VACCINE NANOBIO CORPORATION 2009-12-10 US claimed
US-20090269394-A1 METHODS AND COMPOSITIONS FOR TREATING ONCHOMYCOSIS NANOBIO CORPORATION 2009-10-29 US claimed
US-20090269380-A1 METHODS OF TREATING FUNGAL, YEAST AND MOLD INFECTIONS NANOBIO CORPORATION 2009-10-29 US claimed
WO-2009132343-A1 NANOEMULSIONS FOR TREATING ONCHOMYCOSIS NANOBIO CORPORATION (US) 2009-10-29 WO claimed
WO-2009131995-A1 NANOEMULSION INFLUENZA VACCINE NANOBIO CORPORATION (US) 2009-10-29 WO claimed
WO-2009132342-A1 NANOEMULSIONS FOR TREATING FUNGAL, YEAST AND MOLD INFECTIONS NANOBIO CORPORATION (US) 2009-10-29 WO claimed
WO-2009129470-A2 METHODS FOR TREATING HERPES VIRUS INFECTIONS NANOBIO CORPORATION (US) 2009-10-22 WO claimed
US-20080050842-A1 METHOD OF VISUALIZATION AND QUANITIFICATION OF BIOPOLYMER MOLECULES IMMOBILIZED ON SOLID SUPPORT GOLOVLEV VALERI V 2008-02-28 US claimed