Water

Water

SCHEMBL104604

CCN(CC)CC.O

nearest known ligand 0.00

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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 SCHEMBL8935536 1.00 ALDH1A1 (0.36)
Water SCHEMBL812317 1.00 ALDH1A1 (0.36)
Water SCHEMBL27670879 1.00 ALDH1A1 (0.36)
Water SCHEMBL812316 1.00 ALDH1A1 (0.36)
Water SCHEMBL11589729 1.00 ALDH1A1 (0.36)
Water SCHEMBL23539384 0.95
Water SCHEMBL29009194 0.95
Fluoride SCHEMBL6882629 0.95
Methane SCHEMBL29130542 0.95
Hydrochloric Acid SCHEMBL28745262 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 950 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-224270246-U Triethylamine water phase separation device Jiuce Gas (Fuqing) Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-117110464-B Separation method, characteristic spectrum and construction method of 5 substances in fritillaria cirrhosa 新疆维吾尔药业有限责任公司 2026-05-12 CN claimed
CN-120116572-A Multilayer polyimide shielding wave-absorbing composite foam with stable size and preparation method thereof 中北大学 2025-06-10 CN claimed
CN-120008245-A Solar interface evaporator with cross-linked connection and double-layer structure and application thereof 常州大学 2025-05-16 CN claimed
CN-119976882-A Method for synthesizing hierarchical pore molecular sieve 中国石油大学(华东) 2025-05-13 CN claimed
CN-119912516-A Tanshinone IIA sodium sulfonate related substance and refining method thereof 上海上药第一生化药业有限公司 2025-05-02 CN claimed
CN-119912517-A Tanshinone IIB sodium sulfonate derivative and refining method thereof 上海上药第一生化药业有限公司 2025-05-02 CN claimed
CN-116333371-B Preparation method of polyimide foam with multi-level cell structure and product 哈尔滨工程大学 2025-04-29 CN claimed
CN-119780285-A Analysis method of L-carbolactam chiral impurity serving as key intermediate of L-carnitine 湖北楚维药业有限公司 2025-04-08 CN claimed
CN-119688849-A Method for detecting content of sucrose in solution 南京奥罗生物科技有限公司 2025-03-25 CN claimed
WO-2007065231-A2 AZACYTOSINE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-06-14 WO claimed
CN-1930205-A Method for producing solid highly-reactive polyurethane compositions containing uretdione groups DEGUSSA (DE) 2007-03-14 CN claimed
CN-1840602-A Method for preparing a polishing slurry having high dispersion stability SAMSUNG CORNING CO LTD (KR) 2006-10-04 CN claimed
US-20060213126-A1 Method for preparing a polishing slurry having high dispersion stability SAMSUNG CORNING PRECISION GLASS CO., LTD. (KR) 2006-09-28 US claimed
US-7084291-B2 Water resistant catalyst for the production of diaryl carbonates via the direct carbonylation of phenolic compounds GENERAL ELECTRIC COMPANY (US) 2006-08-01 US claimed
WO-2005040089-A2 WATER RESISTANT CATALYST FOR THE PRODUCTION OF DIARYL CARBONATES VIA THE DIRECT CARBONYLATION OF PHENOLIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2005-05-06 WO claimed
US-20050085656-A1 Water resistant catalyst for the production of diaryl carbonates via the direct carbonylation of phenolic compounds GENERAL ELECTRIC COMPANY 2005-04-21 US claimed
US-20040245214-A1 Electroless plating apparatus and post-electroless plating cleaning method EBARA CORPORATION (JP) 2004-12-09 US claimed
WO-2004006305-A1 ELECTROLESS PLATING APPARATUS AND POST-ELECTROLESS PLATING CLEANING METHOD EBARA CORPORATION (JP) 2004-01-15 WO claimed
US-4265664-A FOR POLYURETHANES, EPOXY RESINS, POLYESTERS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1981-05-05 US claimed