Water

Water

SCHEMBL914751

O.O[Si](O)(O)O.[CaH2].[Fe]

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 SCHEMBL916080 0.94
Water SCHEMBL914668 0.94
Water SCHEMBL914075 0.94
Water SCHEMBL10587240 0.93
Water SCHEMBL1879988 0.93
Water SCHEMBL11794386 0.93
SCHEMBL914235 0.93
Water SCHEMBL28403098 0.93
Water SCHEMBL8010864 0.93
Water SCHEMBL8465478 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250256971-A1 Compositions and Methods for the Capture of Carbon Dioxide and/or the Generation of Silica OHIO STATE INNOVATION FOUNDATION 2025-08-14 US disclosed
US-12168747-B2 Aerogel compositions for high temperature applications ASPEN AEROGELS, INC. (US) 2024-12-17 US disclosed
US-20240360363-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. 2024-10-31 US disclosed
US-11634641-B2 Aerogel compositions for high temperature applications ASPEN AEROGELS, INC. (US) 2023-04-25 US disclosed
US-11549059-B2 Aerogel compositions with enhanced performance MIDCAP FUNDING IV TRUST 2023-01-10 US disclosed
US-11261380-B2 Aerogel compositions for high temperature applications MIDCAP FUNDING IV TRUST 2022-03-01 US disclosed
US-20210207032-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. (US) 2021-07-08 US disclosed
US-20210198578-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. (US) 2021-07-01 US disclosed
US-20210079300-A1 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2021-03-18 US disclosed
US-20200061569-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. (US) 2020-02-27 US disclosed
US-20080015217-A1 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS NOVUS INTERNATIONAL, INC. (US) 2008-01-17 US disclosed
US-20080014323-A1 ANTIOXIDANT COMBINATIONS FOR USE IN FEED RATIONS TO IMPROVE ANTIOXIDANT STATUS OF RUMINANTS NOVUS INTERNATIONAL INC. (US) 2008-01-17 US disclosed
US-20080015218-A1 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS HAVING A FAT SOURCE NOVUS INTERNATIONAL INC. (US) 2008-01-17 US disclosed
US-20080014301-A1 ANTIOXIDANT COMBINATIONS FOR USE IN FEED RATIONS TO INCREASE MILK PRODUCTION AND MILK FAT NOVUS INTERNATIONAL INC. (US) 2008-01-17 US disclosed
WO-2008008637-A2 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS HAVING A FAT SOURCE NOVUS INTERNATIONAL INC. (US) 2008-01-17 WO disclosed
WO-2007140293-A2 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2007-12-06 WO disclosed
US-20070272902-A1 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2007-11-29 US disclosed
WO-2007071633-A1 PROCESS FOR SEQUESTRATION OF CARBON DIOXIDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-06-28 WO disclosed
WO-2006017546-A1 ANIONIC-CONTAING FEED SUPPLEMENTS HAVING A LOW PROTEIN BY-PASS VALUE NOVUS INTERNATIONAL, INC. (US) 2006-02-16 WO disclosed
US-20060029646-A1 Anionic-containing feed supplements having a low protein by-pass value NOVUS INTERNATIONAL, INC. 2006-02-09 US disclosed