Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL9775418 | 1.00 | TSHR (0.78) | — | |
| Hexane SCHEMBL2713862 | 1.00 | — | — | |
| Hexane SCHEMBL27852015 | 1.00 | TSHR (0.78) | — | |
| Hexane SCHEMBL2557033 | 1.00 | TSHR (0.78) | — | |
| Hexane SCHEMBL8462942 | 0.94 | — | — | |
| Hexane SCHEMBL7258814 | 0.94 | TSHR (0.70) | — | |
| Decane SCHEMBL7183338 | 0.94 | TSHR (0.89) | — | |
| Heptane SCHEMBL694283 | 0.94 | — | — | |
| Nonane SCHEMBL2961102 | 0.94 | TSHR (0.89) | — | |
| Decane SCHEMBL10448068 | 0.94 | TSHR (0.89) | — |
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 410 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230276794-A1 | MESH MATERIALS FOR CONTROLLED RELEASE OF ANTIVIRALS, METHOD AND USE | 2HEAL INDUSTRIA E COMERCIO DE PRODUTOS QUIMICOS PARA USO INDUSTRIAL LTDA (BR) | 2023-09-07 | — | — | US | claimed |
| EP-4186382-A1 | MESH MATERIALS FOR CONTROLLED RELEASE OF ANTIVIRALS, METHOD AND USE | Universidade Federal de Minas Gerais (BR) | 2023-05-31 | — | — | EP | claimed |
| CN-113026361-B | Method and reaction device for preparing long-acting antibacterial polyester fiber by coupling poly hexamethylene hydrochloride with glutaraldehyde | 石家庄学院 | 2022-12-30 | — | — | CN | claimed |
| WO-2022018689-A1 | MESH MATERIALS FOR CONTROLLED RELEASE OF ANTIVIRALS, METHOD AND USE | UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) | 2022-01-27 | — | — | WO | claimed |
| CN-113026361-A | Method and reaction device for preparing long-acting antibacterial polyester fiber by coupling poly hexamethylene hydrochloride with glutaraldehyde | 石家庄学院 | 2021-06-25 | — | — | CN | claimed |
| CN-102741239-A | Bicyclic compounds as alpha4beta2 nicotinic acetylcholine receptor ligands | SUVEN LIFE SCIENCES LTD | 2012-10-17 | — | — | CN | claimed |
| US-6987099-B2 | Uncomplexed cyclodextrin compositions for odor control | THE PROCTER & GAMBLE COMPANY (US) | 2006-01-17 | — | — | US | claimed |
| US-20040127463-A1 | Uncomplexed cyclodextrin compositions for odor control | THE PROCTER & GAMBLE COMPANY | 2004-07-01 | — | — | US | claimed |
| US-6656923-B1 | With compatible surfactant; water soluble antimicrobial; perfume; optional additives and wrinkle control agent selected from: compatible fiber lubricants, shape retention polymers, lithium salts, and mixtures thereof | THE PROCTER & GAMBLE COMPANY | 2003-12-02 | — | — | US | claimed |
| US-6284231-B1 | Uncomplexed cyclodextrin compositions for odor control | THE PROCTER & GAMBLE COMPANY | 2001-09-04 | — | — | US | claimed |
| EP-0988364-A1 | UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR AND WRINKLE CONTROL | THE PROCTER & GAMBLE COMPANY (US) | 2000-03-29 | — | — | EP | claimed |
| EP-0988064-A1 | IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL | THE PROCTER & GAMBLE CELLULOSE COMPANY (an Ohio corp.) (US) | 2000-03-29 | — | — | EP | claimed |
| EP-0988365-A1 | UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL | THE PROCTER & GAMBLE COMPANY (US) | 2000-03-29 | — | — | EP | claimed |
| WO-1999055815-A1 | IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL | THE PROCTER & GAMBLE COMPANY (US) | 1999-11-04 | — | — | WO | claimed |
| WO-1998056429-A1 | IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL | THE PROCTER & GAMBLE COMPANY (US) | 1998-12-17 | — | — | WO | claimed |
| WO-1998056889-A1 | FOOD CLEANING COMPOSITIONS CONTAINING CYCLODEXTRIN | THE PROCTER & GAMBLE COMPANY (US) | 1998-12-17 | — | — | WO | claimed |
| WO-1998056890-A1 | UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR AND WRINKLE CONTROL | THE PROCTER & GAMBLE COMPANY (US) | 1998-12-17 | — | — | WO | claimed |
| WO-1998056888-A1 | UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL | THE PROCTER & GAMBLE COMPANY (US) | 1998-12-17 | — | — | WO | claimed |
| CN-1039966-C | Dentifrice composition | SUNSTAR INC (JP) | 1998-09-30 | — | — | CN | claimed |
| CN-1046674-A | DENTIFRICE COMPOSITION | SUNSTAR INC (JP) | 1990-11-07 | — | — | CN | claimed |