Water

Water

SCHEMBL461938

CC(=O)N(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
Hydrochloric Acid SCHEMBL7078366 0.96
Water SCHEMBL10659521 0.96 TSHR (0.44)
Methyl Alcohol SCHEMBL28488777 0.96
SCHEMBL30581182 0.95
SCHEMBL1925147 0.95 ALDH1A1 (0.50)
SCHEMBL30581185 0.95
SCHEMBL2415 0.95
SCHEMBL1190178 0.95
SCHEMBL1332099 0.95
SCHEMBL4820393 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119838843-B Porous diaphragm and preparation method and preparation system thereof 深圳通微新能源科技有限公司 2025-06-17 CN claimed
CN-119838843-A Porous diaphragm and preparation method and preparation system thereof 深圳通微新能源科技有限公司 2025-04-18 CN claimed
CN-114197076-A Preparation method of carbon nanotube aramid fiber and carbon nanotube aramid fiber 赣州龙邦材料科技有限公司 2022-03-18 CN claimed
CN-112979531-A Preparation method of carbazochrome sodium sulfonate degradation impurities 长沙晨辰医药科技有限公司 2021-06-18 CN claimed
CN-111050888-A Microporous membrane and method for producing same 费森尤斯医疗保健控股公司 2020-04-21 CN claimed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US claimed
US-20060205938-A1 Monohydrate solvates of loracarbef RANBAXY LABORATORIES LIMITED (IN) 2006-09-14 US claimed
EP-1565462-A1 MONOHYDRATE SOLVATES OF LORACARBEF RANBAXY LABORATORIES, LTD. (IN) 2005-08-24 EP claimed
WO-2004046142-A1 MONOHYDRATE SOLVATES OF LORACARBEF RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
JP-2040357-A None JP disclosed
EP-4209493-B1 SOLID FORMS AND FORMULATIONS OF (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-N-(PYRIDIN-2-YL)BENZAMIDE ACERTA PHARMA BV (NL) 2025-11-12 EP disclosed
CN-119838843-B Porous diaphragm and preparation method and preparation system thereof 深圳通微新能源科技有限公司 2025-06-17 CN disclosed
CN-119838843-A Porous diaphragm and preparation method and preparation system thereof 深圳通微新能源科技有限公司 2025-04-18 CN disclosed
CN-118936682-A Flexible fabric pressure sensor and wearable socks 东华大学 2024-11-12 CN disclosed
US-4055560-A DISAZO DYES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-25 US disclosed
US-4032645-A FOR SYSTEMIC TREATMENT OF ANAEROBIC INFECTIONS G. D. SEARLE & CO. (US) 1977-06-28 US disclosed
US-3991153-A Single phase extrusion of acrylic polymer and water AMERICAN CYANAMID COMPANY (US) 1976-11-09 US disclosed
US-3980622-A Polymerizable emulsifying agent and application thereof KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-09-14 US disclosed
US-3953241-A POLYMERIC MATRICES, FILLERS, MEMBRANES WESTINGHOUSE ELECTRIC CORPORATION (US) 1976-04-27 US disclosed
US-3932577-A WET SPINNING FROM SOLVENT CONTAINING WATER MONSANTO COMPANY (US) 1976-01-13 US disclosed