Water

Water

SCHEMBL404087

C=COC(C)=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
Ethylene SCHEMBL9815378 0.97
SCHEMBL7529535 0.97 ALDH1A1 (0.44)
SCHEMBL1438 0.97
Ethylene SCHEMBL5527 0.94
SCHEMBL11779415 0.94
SCHEMBL25416150 0.94
Methane SCHEMBL1857106 0.94
SCHEMBL7064953 0.94
SCHEMBL21776861 0.94
SCHEMBL1919359 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085869-A1 IMPROVED HYDROGEL FOR DELIVERY OF PHARMACEUTICAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-24 WO claimed
CN-115799521-A Easily-recycled composite copper current collector and preparation method thereof 扬州纳力新材料科技有限公司 2023-03-14 CN claimed
WO-2022257107-A1 GAMING CHAIR HAVING FUNCTIONAL SURFACE LAYER, AND MANUFACTURING METHOD FOR FUNCTIONAL SURFACE LAYER THEREOF 微星科技股份有限公司 2022-12-15 WO claimed
CN-113636818-B Vegetation-type concrete and preparation method thereof 张家口学院 2022-09-13 CN claimed
CN-108117939-A Use of amphiphilic graft polymers as dye transfer inhibitors 宝洁公司 2018-06-05 CN claimed
CN-107879604-A The bending method of glass 太仓经济开发区蕴源吉光工艺美术品工作室 2018-04-06 CN claimed
CN-107854340-A A kind of Lavender facial mask and preparation method thereof 烟台燕晟信息技术有限公司 2018-03-30 CN claimed
CN-107663446-A A kind of oil base drilling fluid de-plugging agent and preparation method thereof 中国石油化工股份有限公司 2018-02-06 CN claimed
CN-107603533-A Chromatic metallic watt water-and acrylate emulsion binding agent and preparation method thereof 江苏特福特建材有限公司 2018-01-19 CN claimed
CN-107550768-A A kind of preparation method of marine alga skin care ferment 王雷 2018-01-09 CN claimed
CN-106380991-A Supermarket shuttle shelf 常熟市古里镇淼泉大光金属制品厂 2017-02-08 CN claimed
CN-106366728-A Cloth knife rest for spinning device 常熟市晓轶金属配件厂 2017-02-01 CN claimed
CN-106361675-A Preparation method for skin care product from Chinese herbal medicine 烟台市昊星晟信息技术有限公司 2017-02-01 CN claimed
CN-106366858-A Movable shear edge 常熟市新冶机械制造有限公司 2017-02-01 CN claimed
CN-106332920-A Plant deodorant containing aloe 广西南宁益土生物科技有限责任公司 2017-01-18 CN claimed
CN-106283025-A Power equipment low-voltage dynamic reactive power compensation 苏州菲斯特电力科技有限公司 2017-01-04 CN claimed
CN-106221460-A A kind of write erasing coating on PET film 付竹兰 2016-12-14 CN claimed
CN-104277175-B Polyacrylamide reverse microemulsion transfer drive system 中国石油化工股份有限公司 2016-09-07 CN claimed
CN-104336028-B A kind of bactericidal composition containing amisulbrom and dimethomorph CUI SHUHUA (CN) 2016-05-11 CN claimed
CN-1226188-A Palladium-gold catalyst for preparing vinyl acetate HOECHST CELANESE CORP (US) 1999-08-18 CN claimed