Water

Water

SCHEMBL49579

O.S

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 SCHEMBL11566091 1.00
Water SCHEMBL9405278 1.00
Water SCHEMBL5797904 1.00
Water SCHEMBL19953492 1.00
Water SCHEMBL57587 1.00
Water SCHEMBL20566053 1.00
Water SCHEMBL3841401 1.00
Water SCHEMBL1941845 1.00 OXTR (0.50)
Water SCHEMBL1282691 1.00
Water SCHEMBL28721160 1.00

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

Appears in 2827 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260060985-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC (US) 2026-03-05 US claimed
CN-120037833-A Dimethyl disulfide apparatus for producing 辽宁省轻工设计院有限公司 2025-05-27 CN claimed
CN-117403726-B Method for dredging and constructing harbor pool channel containing hydrogen sulfide soil 中国港湾工程有限责任公司 2025-01-24 CN claimed
CN-221619387-U Dimethyl disulfide apparatus for producing 辽宁省轻工设计院有限公司 2024-08-30 CN claimed
CN-110947280-B Impurity-containing carbon dioxide acid gas purification system and method 中国石油集团工程股份有限公司 2024-06-11 CN claimed
CN-117659995-A High-selectivity high-sensitivity chiral composite nano probe for hydrogen sulfide double-signal sensing and preparation method thereof 吉林大学 2024-03-08 CN claimed
CN-117482867-A Device and method for producing hydrogen sulfide by utilizing hydrogen and sulfur 辽宁省轻工设计院有限公司 2024-02-02 CN claimed
WO-2024017221-A1 SYNTHESIS METHOD FOR α-AZIDO KETONE CONTAINING TERTIARY STEREOCENTER 常州大学 2024-01-25 WO claimed
CN-117403726-A Method for dredging and constructing harbor pool channel containing hydrogen sulfide soil 中国港湾工程有限责任公司 2024-01-16 CN claimed
CN-117311288-A Safety protection system based on upper and lower double-layer return line body for automatic production line 深圳市磐锋精密技术有限公司 2023-12-29 CN claimed
US-5135670-A Reacting with sulfur and sodium sulfide hydrates, recovering alkyl polysulfides; lubricant and fuel additives MOBIL OIL CORPORATION (US) 1992-08-04 US claimed
WO-1992000367-A1 IMPROVED SULFURIZED OLEFIN EXTREME PRESSURE/ANTIWEAR ADDITIVES AND COMPOSITIONS THEREOF MOBIL OIL CORPORATION (US) 1992-01-09 WO claimed
EP-0448194-A2 Process for production of polyarylenesulfides KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-09-25 EP claimed
EP-0369076-A1 Process for preparation of trisubstituted sulfonium and sulfoxonium salts of N-phosphonomethylglycine ZENECA INC. (US) 1990-05-23 EP claimed
US-4490522-A REACTING POLYHALOGENATED AROMATIC COMPOUND WITH ALKALI METAL SULFIDE IN PRESENCE OF OXYALKYLENE COMPOUND DAINIPPON INK & CHEMICALS, INC. (JP) 1984-12-25 US claimed
US-4319926-A DURABLE PROTECTIVE COATINGS PPG INDUSTRIES, INC. (US) 1982-03-16 US claimed
US-4210526-A Desulfurizing fossil fuels SWANSON ROLLAN 1980-07-01 US claimed
US-4160721-A De-sulfurization of petroleum residues using melt of alkali metal sulfide hydrates or hydroxide hydrates SWANSON ROLLAN 1979-07-10 US claimed
US-4133867-A Counter-current process with a hydrodesulfurization of solid carbonaceous materials OCCIDENTAL PETROLEUM CORPORATION (US) 1979-01-09 US claimed
US-4055400-A FROM CARBONACEOUS FUEL BATTELLE MEMORIAL INSTITUTE (US) 1977-10-25 US claimed