Water

Water

SCHEMBL20474792

N#C[Fe].O.[KH]

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 SCHEMBL959738 1.00
SCHEMBL28073305 1.00
SCHEMBL1355402 1.00
Water SCHEMBL28135540 1.00 CA1 (0.30)
Water SCHEMBL28866447 1.00 CA1 (0.30)
Water SCHEMBL25269402 1.00 CA1 (0.30)
SCHEMBL4149206 1.00 CA1 (0.30)
SCHEMBL16892577 0.94
SCHEMBL3889606 0.94
SCHEMBL1668305 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118020-A Halogen carbazole derivative, organic synthesis method and application thereof 南京邮电大学 2025-06-10 CN claimed
CN-118932384-A Hollow bismuth micron box assembled by bismuth alkene quantum dots, and preparation method and application thereof 重庆工商大学 2024-11-12 CN claimed
CN-117913272-A Dekalium-sodium-embedded modified Prussian blue analogue, and preparation method and application thereof 中国石油化工股份有限公司 2024-04-19 CN claimed
CN-114639811-B Prussian blue electrode material and preparation method and application thereof 河北科技大学 2024-01-26 CN claimed
CN-110615448-B Method for preparing sodium nitroprusside 凯默斯医药科技(上海)有限公司 2023-06-23 CN claimed
CN-114639811-A Prussian blue electrode material and preparation method and application thereof 河北科技大学 2022-06-17 CN claimed
CN-110615448-A Method for preparing sodium nitroprusside 四川科瑞德凯华制药有限公司 2019-12-27 CN claimed
CN-109134338-A Pyrrolidines tertiary amine is the alpha-aminonitriles compounds process for production thereof of substrate 求秋平 2019-01-04 CN claimed
CN-120118020-A Halogen carbazole derivative, organic synthesis method and application thereof 南京邮电大学 2025-06-10 CN disclosed
CN-118932384-A Hollow bismuth micron box assembled by bismuth alkene quantum dots, and preparation method and application thereof 重庆工商大学 2024-11-12 CN disclosed
CN-117913272-A Dekalium-sodium-embedded modified Prussian blue analogue, and preparation method and application thereof 中国石油化工股份有限公司 2024-04-19 CN disclosed
CN-114639811-B Prussian blue electrode material and preparation method and application thereof 河北科技大学 2024-01-26 CN disclosed
CN-114639811-B Prussian blue electrode material and preparation method and application thereof 河北科技大学 2024-01-26 CN disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN disclosed
CN-110002466-A Ferrous cyanogen manganese potassium prussian blue cubic crystal of low water low defect and preparation method thereof 电子科技大学 2019-07-12 CN disclosed
CN-109680268-A A kind of preparation method of copper electrode ionomer-metallic composite artificial-muscle 西安科技大学 2019-04-26 CN disclosed
US-20180237460-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-08-23 US disclosed
CN-108387662-A A kind of detection method of sorbic acid 上海紫燕食品有限公司 2018-08-10 CN disclosed
CN-107955939-A A kind of polytetrafluoroethylene material surface is without palladium electroless copper plating method 中国科学院上海应用物理研究所 2018-04-24 CN disclosed
CN-107299337-A A kind of chemical copper plating solution stabilization agent and preparation method thereof 南通赛可特电子有限公司 2017-10-27 CN disclosed