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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1048537 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28466472 | 0.80 | — | — | |
| SCHEMBL31621233 | 0.67 | — | — | |
| Water SCHEMBL29401311 | 0.63 | — | — | |
| SCHEMBL2587040 | 0.63 | — | — | |
| Water SCHEMBL28493031 | 0.52 | — | — | |
| Water SCHEMBL1716555 | 0.52 | — | — | |
| Water SCHEMBL29857202 | 0.52 | — | — | |
| Water SCHEMBL3253722 | 0.52 | — | — | |
| Water SCHEMBL383056 | 0.52 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119119088-A | Preparation method of optical/thermal dual-mode switchable single-molecule magnet material | 青岛大学 | 2024-12-13 | — | — | CN | claimed |
| CN-119020834-A | Heavy rare earth metal electroplating solution and preparation method and application thereof | 中国计量大学 | 2024-11-26 | — | — | CN | claimed |
| CN-115678556-A | Long-afterglow scintillation crystal and preparation method and application thereof | 闽都创新实验室 | 2023-02-03 | — | — | CN | claimed |
| CN-119119088-B | Preparation method of optical/thermal dual-mode switchable single-molecule magnet material | 青岛大学 | 2025-06-24 | — | — | CN | disclosed |
| CN-119119088-B | Preparation method of optical/thermal dual-mode switchable single-molecule magnet material | 青岛大学 | 2025-06-24 | — | — | CN | disclosed |
| EP-3402862-B1 | USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS | INOVENTEAM (FR) | 2025-01-08 | — | — | EP | disclosed |
| CN-119119088-A | Preparation method of optical/thermal dual-mode switchable single-molecule magnet material | 青岛大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-119119088-A | Preparation method of optical/thermal dual-mode switchable single-molecule magnet material | 青岛大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-119020834-A | Heavy rare earth metal electroplating solution and preparation method and application thereof | 中国计量大学 | 2024-11-26 | — | — | CN | disclosed |
| CN-119020834-A | Heavy rare earth metal electroplating solution and preparation method and application thereof | 中国计量大学 | 2024-11-26 | — | — | CN | disclosed |
| CN-115678556-B | Long-afterglow scintillation crystal and preparation method and application thereof | 闽都创新实验室 | 2023-10-03 | — | — | CN | disclosed |
| CN-107556341-B | Hexa-coordinate chirality dysprosium single ion magnet and its synthetic method with electromagnetic coupling effect | 南开大学 | 2019-03-26 | — | — | CN | disclosed |
| US-20190010413-A1 | USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS | INOVENTEAM (FR) | 2019-01-10 | — | — | US | disclosed |
| EP-3402862-A1 | USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS | Inoventeam (FR) | 2018-11-21 | — | — | EP | disclosed |
| CN-107556341-A | Hexa-coordinate chirality dysprosium single ion magnet and its synthetic method with electromagnetic coupling effect | 南开大学 | 2018-01-09 | — | — | CN | disclosed |
| CN-106103636-A | Allergen reductionization compositions, the spray comprising it and Surface Machining agent, allergen reductionization method, through the fiber construct of allergen reductionization and built-in material for building | 住化愿必隆梦之赛因斯株式会社 | 2016-11-09 | — | — | CN | disclosed |
| CN-103320608-A | Rare earth separation and recovery method and device using same | HITACHI LTD | 2013-09-25 | — | — | CN | disclosed |
| US-6649789-B2 | From acetic acid, ethylene and oxygen or oxygen-containing gases; catalyst selectivity | CELANESE CHEMICALS EUROPE GMBH (DE) | 2003-11-18 | — | — | US | disclosed |
| US-6579824-B1 | Selectivity for vinyl acetate | CELANESE CHEMICALS EUROPE GMBH (DE) | 2003-06-17 | — | — | US | disclosed |
| US-20020198404-A1 | Catalyst based on palladium, gold, alkali metal and lanthanoid and process for preparing vinyl acetate | CELANESE CHEMICALS EUROPE GMBH | 2002-12-26 | — | — | US | disclosed |