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 | |
|---|---|---|---|---|
| Water SCHEMBL1466515 | 1.00 | — | — | |
| Water SCHEMBL27809594 | 0.93 | — | — | |
| Water SCHEMBL27787643 | 0.93 | — | — | |
| Water SCHEMBL30488446 | 0.91 | — | — | |
| Water SCHEMBL17629249 | 0.91 | — | — | |
| Water SCHEMBL17629250 | 0.91 | — | — | |
| SCHEMBL228317 | 0.91 | — | — | |
| SCHEMBL28804432 | 0.91 | — | — | |
| Water SCHEMBL230149 | 0.91 | — | — | |
| Water SCHEMBL7246743 | 0.91 | — | — |
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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536664-B | Method for synthesizing furan quinoline derivative under participation of carbon dioxide | 成都大学 | 2025-02-11 | — | — | CN | claimed |
| CN-117659098-A | Tridentate phosphine ligand ferrous metal catalyst and preparation method and application thereof | 中国科学院青岛生物能源与过程研究所 | 2024-03-08 | — | — | CN | claimed |
| CN-117624620-A | Three-arm star-shaped terpyridine iron coordination polymer electrochromic energy storage material | 南京林业大学 | 2024-03-01 | — | — | CN | claimed |
| CN-117050324-A | Quinoxaline bridged terpyridine iron coordination polymer electrochromic material | 南京林业大学 | 2023-11-14 | — | — | CN | claimed |
| CN-113396199-B | Phase Change Material (PCM) with solid-to-solid transition | 松耐普有限公司 | 2023-10-20 | — | — | CN | claimed |
| EP-3921383-B1 | PHASE CHANGE MATERIALS (PCMS) WITH SOLID TO SOLID TRANSITIONS | SUNAMP LTD (GB) | 2023-01-11 | — | — | EP | claimed |
| CN-113896756-B | Preparation method of 1 alpha-hydroxy dehydroepiandrosterone | 浙江仙琚制药股份有限公司 | 2023-01-03 | — | — | CN | claimed |
| CN-115536664-A | Method for synthesizing furan quinoline derivatives under participation of carbon dioxide | 成都大学 | 2022-12-30 | — | — | CN | claimed |
| US-20220195281-A1 | PHASE CHANGE MATERIALS (PCMS) WITH SOLID TO SOLID TRANSITIONS | SUNAMP LIMITED (GB) | 2022-06-23 | — | — | US | claimed |
| CN-111276708-B | Fe/N/C oxygen reduction catalyst based on MOF-5 and preparation method and application thereof | 东南大学 | 2022-05-31 | — | — | CN | claimed |
| CN-113896756-A | Preparation method of 1 alpha-hydroxy dehydroepiandrosterone | 浙江仙琚制药股份有限公司 | 2022-01-07 | — | — | CN | claimed |
| EP-3921383-A1 | PHASE CHANGE MATERIALS (PCMS) WITH SOLID TO SOLID TRANSITIONS | Sunamp Limited (GB) | 2021-12-15 | — | — | EP | claimed |
| CN-113396199-A | Phase Change Material (PCM) with solid-to-solid transition | 松耐普有限公司 | 2021-09-14 | — | — | CN | claimed |
| WO-2021086416-A1 | OIL SWELLABLE MATERIAL FOR LOW TEMPERATURE LOST CIRCULATION MATERIAL APPLICATION | HALLIBURTON ENERGY SERVICES, INC. (US) | 2021-05-06 | — | — | WO | claimed |
| US-20210131201-A1 | OIL SWELLABLE MATERIAL FOR LOW TEMPERATURE LOST CIRCULATION MATERIAL APPLICATION | HALLIBURTON ENERGY SERVICES, INC. (US) | 2021-05-06 | — | — | US | claimed |
| CN-112047925-A | Preparation method of N- (aryl/heteroaryl) alkyl-diamide | 中国科学院兰州化学物理研究所 | 2020-12-08 | — | — | CN | claimed |
| WO-2020161507-A1 | PHASE CHANGE MATERIALS (PCMS) WITH SOLID TO SOLID TRANSITIONS | SUNAMP LIMITED (GB) | 2020-08-13 | — | — | WO | claimed |
| CN-111276708-A | Fe/N/C oxygen reduction catalyst based on MOF-5 and preparation method and application thereof | 东南大学 | 2020-06-12 | — | — | CN | claimed |
| CN-115536664-B | Method for synthesizing furan quinoline derivative under participation of carbon dioxide | 成都大学 | 2025-02-11 | — | — | CN | disclosed |
| US-6129830-A | IN SHORT TIME, USING DEPOSITION BATH CONTAINING COPPER IONS, COMPOUNDS THAT INCREASE ELECTROCONDUCTIVITY OF THE BATH, ADDITIVES TO INFLUENCE MATERIAL PROPERTIES OF THE COPPER, AND COMPOUNDS OF AN ELECTROCHEMICALLY REVERSIBLE REDOX SYSTEM | ATOTECH DEUTSCHLAND GMBH (DE) | 2000-10-10 | — | — | US | disclosed |