Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of 1-Hexanol. 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 | |
|---|---|---|---|---|
| Octanol SCHEMBL29030807 | 1.00 | LMNA (0.93) | — | |
| Tridecan-1-Ol SCHEMBL17318161 | 1.00 | LMNA (0.93) | — | |
| 1-Hexanol SCHEMBL7552478 | 1.00 | LMNA (0.93) | — | |
| Cetyl Alcohol SCHEMBL10809721 | 1.00 | LMNA (0.93) | — | |
| 1-Heptanol SCHEMBL437066 | 1.00 | — | — | |
| 1-Hexanol SCHEMBL10524091 | 1.00 | LMNA (0.93) | — | |
| 1-Hexanol SCHEMBL7138712 | 1.00 | LMNA (0.93) | — | |
| Dodecanol SCHEMBL2143606 | 1.00 | LMNA (0.93) | — | |
| Octanol SCHEMBL20527756 | 1.00 | LMNA (0.93) | — | |
| Octanol SCHEMBL30740443 | 1.00 | LMNA (0.93) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113372297-B | Method for treating mixed liquid containing ethanol, piperazine, n-hexanol and water | 索闻特环保科技(上海)有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-113372297-A | Method for treating mixed liquid containing ethanol, piperazine, n-hexanol and water | 索闻特环保科技(上海)有限公司 | 2021-09-10 | — | — | CN | disclosed |
| US-10564140-B2 | Diffusion cell testing methods and system containing biphasic receptor fluids | BUFFERAD Illinois Inc. (US) | 2020-02-18 | — | — | US | disclosed |
| US-20180292376-A1 | DIFFUSION CELL TESTING METHODS CONTAINING BIPHASIC RECEPTOR FLUIDS | BUFFERAD ILLINOIS, INC. (D/B/A ZYLERIS PHARMATECH) | 2018-10-11 | — | — | US | disclosed |
| EP-2706062-B1 | NOVEL CEPHALOSPORIN DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | LEGOCHEM BIOSCIENCES INC (KR) | 2018-05-09 | — | — | EP | disclosed |
| US-9630977-B2 | Cephalosporin derivatives and pharmaceutical compositions thereof | LEGOCHEM BIOSCIENCES, INC. (KR) | 2017-04-25 | — | — | US | disclosed |
| EP-2706062-A2 | NOVEL CEPHALOSPORIN DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | LegoChem Biosciences, Inc. (KR) | 2014-03-12 | — | — | EP | disclosed |
| US-20130178455-A1 | NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | LEGOCHEM BIOSCIENCES, INC (US) | 2013-07-11 | — | — | US | disclosed |
| US-8329684-B2 | Cephalosporin derivatives and pharmaceutical compositions thereof | LEGOCHEM BIOSCIENCES, INC. (KR) | 2012-12-11 | — | — | US | disclosed |
| US-20120264727-A1 | NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | LEGOCHEM BIOSCIENCES, INC. (KR) | 2012-10-18 | — | — | US | disclosed |
| US-6387927-B1 | WATER SOLUBILITY | NOVATIS AG (CH) | 2002-05-14 | — | — | US | disclosed |
| CN-1332742-A | Epothilone derivatives and their use as antitumor agents | NOVARTIS AG (CH) | 2002-01-23 | — | — | CN | disclosed |
| EP-1140944-A1 | EPOTHILONE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | Novartis AG (CH) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037473-A1 | EPOTHILONE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | NOVARTIS AG (CH) | 2000-06-29 | — | — | WO | disclosed |
| EP-0888533-A4 | PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC | CALIFORNIA INST OF TECHN (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5928955-A | SENSOR COMPRISES A PEPTIDE TEMPLATE COMPRISED OF ZINC(II) BINDING DOMAIN OF A ZINC(II) BINDING FINGER PROTEIN WHICH IS COVALENTLY ATTACHED TO A FLUORESCENT REPORTING GROUP | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1999-07-27 | — | — | US | disclosed |
| EP-0888533-A1 | PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997035182-A9 | PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC | — | 1998-07-16 | — | — | WO | disclosed |
| WO-1997035182-A1 | PEPTIDYL FLUORESCENT CHEMOSENSOR FOR DIVALENT ZINC | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-09-25 | — | — | WO | disclosed |
| CN-1019392-B | ISOLATION AND PURIFICATION OF HEMIN | BASF AG (DE) | 1992-12-09 | — | — | CN | disclosed |