Water

Water

SCHEMBL1983786

O.O.O.[NaH].[NaH].[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 SCHEMBL11061842 1.00
Water SCHEMBL2299753 1.00
Water SCHEMBL94343 1.00
Water SCHEMBL8477073 1.00
Water SCHEMBL8745540 1.00
Water SCHEMBL11059872 1.00
Water SCHEMBL3644096 1.00
Water SCHEMBL9297984 1.00
Water SCHEMBL5802169 1.00
Water SCHEMBL8153667 1.00

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253330-B Novel crystal form of sartan drug, preparation method and application thereof 广州白云山天心制药股份有限公司 2023-01-24 CN claimed
EP-1124567-B2 BUFFERED COMPOSITIONS FOR DIALYSIS ADVANCED RENAL TECHNOLOGIES (US) 2011-06-29 EP claimed
EP-1124567-B1 BUFFERED COMPOSITIONS FOR DIALYSIS ADVANCED RENAL TECHNOLOGIES (US) 2006-03-29 EP claimed
EP-4691459-A1 COMBINATION FORMULATION COMPRISING SACUBITRIL-VALSARTAN AND SGLT-2 INHIBITOR HAVING IMPROVED STABILITY AND DISSOLUTION RATE Hanmi Pharm. Co., Ltd. (KR) 2026-02-11 EP disclosed
WO-2024210557-A1 COMBINATION FORMULATION COMPRISING SACUBITRIL-VALSARTAN AND SGLT-2 INHIBITOR HAVING IMPROVED STABILITY AND DISSOLUTION RATE 한미약품 주식회사 2024-10-10 WO disclosed
CN-111253330-B Novel crystal form of sartan drug, preparation method and application thereof 广州白云山天心制药股份有限公司 2023-01-24 CN disclosed
CN-111253330-B Novel crystal form of sartan drug, preparation method and application thereof 广州白云山天心制药股份有限公司 2023-01-24 CN disclosed
CN-111253330-A Novel crystal form of sartan drug, preparation method and application thereof 广州白云山天心制药股份有限公司 2020-06-09 CN disclosed
CN-106905253-B Crystallization of supramolecular complexes 正大天晴药业集团股份有限公司 2020-01-03 CN disclosed
CN-106905253-B Crystallization of supramolecular complexes 正大天晴药业集团股份有限公司 2020-01-03 CN disclosed
WO-2019180735-A1 STABLE PHARMACEUTICAL COMPOSITIONS COMPRISING SACUBITRIL-VALSARTAN COMPLEX NATCO PHARMA LIMITED (IN) 2019-09-26 WO disclosed
US-4181634-A Mild cleansing compositions comprising an alkyleneoxylated bisquaternary ammonium compound and an anionic or amphoteric detergent such as a phosphobetaine JOHNSON & JOHNSON (US) 1980-01-01 US disclosed