Water

Water

SCHEMBL284883

O.[Nb]

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 SCHEMBL27953967 1.00
Water SCHEMBL9347681 1.00
Water SCHEMBL27799413 1.00
Water SCHEMBL720857 1.00
Water SCHEMBL24384 1.00
Water SCHEMBL28612790 1.00
Water SCHEMBL6033551 1.00
Water SCHEMBL3395614 1.00
Water SCHEMBL1708553 1.00
Methane SCHEMBL23458658 0.82

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 3082 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117625965-B Method for producing high-purity aluminum-niobium-tantalum intermediate alloy co-production ammonium fluoride CHENGDE TIANDA VANADIUM INDUSTRY Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122010177-A Method for preparing ultra-high purity niobium oxide by deep desilication 江西海协稀有金属材料有限公司 2026-05-12 CN claimed
CN-121575436-A Double-site catalyst and preparation method and application thereof 厦门大学 2026-02-27 CN claimed
EP-4636868-A1 MODIFIED LITHIUM MANGANESE IRON PHOSPHATE POSITIVE ELECTRODE MATERIAL, AND PREPARATION METHOD THEREFOR AND USE THEREOF Eve Power Co., Ltd. (CN) 2025-10-22 EP claimed
US-12410065-B2 Porous electrochromic niobium oxide films and methods of making and use thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-09-09 US claimed
EP-4600217-A1 METHOD FOR PRODUCING METAL CARBIDE, METAL CARBIDE POWDER AND METAL CARBIDE INTERMEDIATE DISPERSED LIQUID Mitsui Mining & Smelting Co., Ltd (JP) 2025-08-13 EP claimed
WO-2025121753-A1 METHOD FOR FORMING ELECTRON TRANSFER LAYER FOR PEROVSKITE SOLAR CELL AND METHOD FOR MANUFACTURING PEROVSKITE SOLAR CELL 한화솔루션(주) 2025-06-12 WO claimed
WO-2025120887-A1 LITHIUM-ION BATTERY POSITIVE-ELECTRODE ACTIVE MATERIAL, LITHIUM-ION BATTERY POSITIVE ELECTRODE, LITHIUM-ION BATTERY, ALL-SOLID LITHIUM-ION BATTERY POSITIVE-ELECTRODE ACTIVE MATERIAL, ALL-SOLID LITHIUM-ION BATTERY POSITIVE ELECTRODE, ALL-SOLID LITHIUM-ION BATTERY, METHOD FOR MANUFACTURING LITHIUM-ION BATTERY POSITIVE-ELECTRODE ACTIVE MATERIAL, AND METHOD FOR MANUFACTURING ALL-SOLID LITHIUM-ION BATTERY POSITIVE-ELECTRODE ACTIVE MATERIAL JX金属株式会社 2025-06-12 WO claimed
CN-120015826-A Medium-entropy manganese-based phosphate sodium-electricity positive electrode material, and preparation method and application thereof 武汉纺织大学 2025-05-16 CN claimed
CN-119943921-A Ternary polycrystalline positive electrode material, preparation method thereof and lithium ion battery 巴斯夫杉杉电池材料有限公司 2025-05-06 CN claimed
EP-0428387-A2 Process for producing powder material for lead perovskite ceramic SAKAI CHEMICAL INDUSTRY CO., LTD., (JP) 1991-05-22 EP claimed
EP-0168811-B1 CATALYST, METHOD OF PREPARATION AND ITS USE IN CONVERTING NITROGEN OXIDES IN EXHAUST GASES CBMM Internacional Ltda. (BR) 1990-02-28 EP claimed
US-4818808-A HEAT TREATED, HYDRATED NIOBIC ACID CATALYST KANEBO, LTD. (JP) 1989-04-04 US claimed
EP-0287840-A2 Process for producing polyesters using a niobium compound as a catalyst KANEBO, LTD. (JP) 1988-10-26 EP claimed
EP-0271182-A1 Alumina catalyst for catalytic production of methyl isobutyl ketone from acetone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-15 EP claimed
CN-86107657-B Production method of spherical niobium pentoxide 北京有色金属研究总院 1988-01-13 CN claimed
CN-86107657-A The production method of purification of spherical Niobium Pentxoxide 1987-12-09 CN claimed
EP-0241278-A2 Method of separating and purifying tantalum and niobium-containing compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP claimed
EP-0135145-A2 Solid acid catalysts and process of producing the same CBMM Internacional Ltda. (BR) 1985-03-27 EP claimed
EP-0041459-A1 Process for the lixiviation of a niobium and/or tantalum ore containing calcium as main impurity GOUVERNEMENT DU QUEBEC (CA) 1981-12-09 EP claimed