Water

Water

SCHEMBL1970384

CCC(O)O.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 SCHEMBL4796024 1.00
Hydrochloric Acid SCHEMBL6501209 0.95
SCHEMBL2335211 0.95 TSHR (0.58)
SCHEMBL14994799 0.95 TSHR (0.58)
SCHEMBL16959 0.95
Methane SCHEMBL25267970 0.90
SCHEMBL11418802 0.90 TSHR (0.54)
Hydrochloric Acid SCHEMBL137610 0.90
SCHEMBL5899501 0.90
SCHEMBL7456233 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4554555-A1 COMPOSITION COMPRISING AN EXTRACT OF JASMINUM SAMBAC AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2025-05-21 EP claimed
CN-119486710-A Composition comprising jasmine extract and use thereof 科莱恩国际有限公司 2025-02-18 CN claimed
EP-4376807-A1 A PHARMACEUTICAL COMPOSITION COMPRISING COMBINATION OF SGLT2 INHIBITOR AND DPP-IV INHIBITOR Unison Pharmaceuticals Pvt. Ltd. (IN) 2024-06-05 EP claimed
WO-2024012787-A1 COMPOSITION COMPRISING AN EXTRACT OF JASMINUM SAMBAC AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2024-01-18 WO claimed
WO-2023007511-A1 A PHARMACEUTICAL COMPOSITION COMPRISING COMBINATION OF SGLT2 INHIBITOR AND DPP-IV INHIBITOR UNISON PHARMACEUTICALS PVT. LTD. (IN) 2023-02-02 WO claimed
WO-2021260617-A1 AN IMPROVED PROCESS FOR PREPARATION OF DAPAGLIFLOZIN PROPANEDIOL MONOHYDRATE HIKAL LIMITED (IN) 2021-12-30 WO claimed
US-11033544-B2 Low-dose triple combination formulation The George Institute for Global Health (AU) 2021-06-15 US claimed
US-20200306246-A1 LOW-DOSE TRIPLE COMBINATION FORMULATION The George Institute for Global Health (AU) 2020-10-01 US claimed
CN-109664418-A A kind of mute type diamond fretsaw 镇江笑宁能源科技有限公司 2019-04-23 CN claimed
CN-107033321-A A kind of waterborne polyurethane resin and preparation method thereof 合肥科天水性科技有限责任公司 2017-08-11 CN claimed
WO-2017118945-A1 PREMIX OF DAPAGLIFLOZIN AND PROCESS FOR THE PREPARATION THEREOF LUPIN LIMITED (IN) 2017-07-13 WO claimed
CN-106928421-A A kind of clothing leather soft bed material and preparation method thereof 合肥科天水性科技有限责任公司 2017-07-07 CN claimed
EP-4739697-A1 PROCESS FOR THE PREPARATION OF DAPAGLIFLOZIN Zaklady Farmaceutyczne Polpharma S.A. (PL) 2026-05-13 EP disclosed
EP-4724031-A1 EXTRACT OF THE CYBELE VARIETY OF PUNICA GRANATUM, AND USES THEREOF IN COSMETICS GATTEFOSSE SAS (FR) 2026-04-15 EP disclosed
US-20260069550-A1 TRANSDERMAL DELIVERY OF ANTIDIABETIC AGENTS RITTENHOUSE CHRISTINE (US) 2026-03-12 US disclosed
US-20250352458-A1 IMPROVEMENTS IN OR RELATING TO EXTRACTS GIVAUDAN SA (CH) 2025-11-20 US disclosed
WO-2015063726-A1 PROCESS FOR THE PREPARATION OF 4-BROMO-1-CHLORO-2-(4-ETHOXYBENZYL)BENZENE RANBAXY LABORATORIES LIMITED (IN) 2015-05-07 WO disclosed
WO-2015044849-A1 PROCESS FOR THE PURIFICATION OF DAPAGLIFLOZIN RANBAXY LABORATORIES LIMITED (IN) 2015-04-02 WO disclosed
WO-2015040571-A1 PROCESS FOR THE PREPARATION OF DAPAGLIFLOZIN RANBAXY LABORATORIES LIMITED (IN) 2015-03-26 WO disclosed
EP-1505057-B1 METHOD OF PURIFYING QUATERNARY ALKYLAMMONIUM SALT STELLA CHEMIFA KABUSHIKI KAISHA (JP) 2011-06-22 EP disclosed