Water

Water

SCHEMBL277569

C=C=C.C=C=C.O

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 SCHEMBL28260064 0.91
SCHEMBL30945324 0.80
SCHEMBL31053209 0.80
Hydrochloric Acid SCHEMBL31499423 0.80
SCHEMBL1056772 0.80
Ammonia Solution, Strong SCHEMBL6518320 0.80
Ammonia Solution, Strong SCHEMBL11413772 0.80
Hydrogen Sulfide SCHEMBL11679956 0.80
Ethylene SCHEMBL7180381 0.80
SCHEMBL31163339 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 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116135848-B Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-03-12 CN claimed
CN-116135848-A Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-05-19 CN claimed
CN-109796860-A A kind of drawing aqueous polyurethane art painting and preparation method thereof 烟台南山学院 2019-05-24 CN claimed
EP-0945762-B1 Process for forming an optical article AKONIA HOLOGRAPHICS LLC (US) 2013-04-24 EP claimed
US-7541391-B2 Self-forming polymer waveguide and waveguide material with reduced shrinkage GENERAL ELECTRIC COMPANY (US) 2009-06-02 US claimed
EP-2000296-A9 TRANSPARENT BARRIER SHEET AND PRODUCTION METHOD OF TRANSPARENT BARRIER SHEET Konica Minolta Medical & Graphic, Inc. (JP) 2009-03-18 EP claimed
EP-2000297-A1 TRANSPARENT BARRIER SHEET AND METHOD FOR PRODUCING TRANSPARENT BARRIER SHEET Konica Minolta Medical & Graphic, Inc. (JP) 2008-12-10 EP claimed
EP-2000296-A2 TRANSPARENT BARRIER SHEET AND PRODUCTION METHOD OF TRANSPARENT BARRIER SHEET Konica Minolta Medical & Graphic, Inc. (JP) 2008-12-10 EP claimed
US-20070224392-A1 Transparent barrier sheet and production method of transparent barrier sheet KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-09-27 US claimed
US-20070224413-A1 Transparent barrier sheet and production method of transparent barrier sheet KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-09-27 US claimed
US-6856461-B2 Tunable optical filter INPHASE TECHNOLOGIES, INC. (US) 2005-02-15 US claimed
US-20040202942-A1 Holographic recording medium and recording method thereof KONICA MINOLTA MEDICAL & GRAPHICS, INC. (JP) 2004-10-14 US claimed
US-6723143-B2 ABRASIVE PARTICLES OF AN AQUEOUS METAL OXIDE SOL FORMING A COLLOIDAL SUSPENSION OR DISPERSION COMPRISING A NON-DEHYDRATED METAL OXIDE(S); CHEMICALLY REACTIVE WITH THE LOW DIELECTRIC CONSTANT MATERIAL; SPHERES; DIMENSIONALLY STABLE HONEYWELL INTERNATIONAL INC. 2004-04-20 US claimed
WO-2004015018-A1 REACTIVE AQUEOUS METAL OXIDE SOLS AS POLISHING SLURRIES FOR LOW DIELECTRIC CONSTANT MATERIALS HONEYWELL INTERNATIONAL INC. (US) 2004-02-19 WO claimed
US-20040002207-A1 Method of ultra low-k device fabrication CABOT MICROELECTRONICS CORPORATION 2004-01-01 US claimed
US-20020186928-A1 Tunable optical filter ACADIA WOODS PARTNERS, LLC 2002-12-12 US claimed
US-6482551-B1 Optical article and process for forming article INPHASE TECHNOLOGIES 2002-11-19 US claimed
US-6464740-B1 ABRASIVE BIMODAL METAL OXIDES; DIMENSIONAL STABILITY; CHEMICAL MECHANICAL POLISHING HONEYWELL INTERNATIONAL INC. 2002-10-15 US claimed
US-20020142227-A1 Optical article and process for forming atricle ACADIA WOODS PARTNERS, LLC 2002-10-03 US claimed
EP-0945762-A1 Optical article and process for forming article LUCENT TECHNOLOGIES INC. (US) 1999-09-29 EP claimed