Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of 1,2-Dichloroethane. 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 | |
|---|---|---|---|---|
| 1,2-Dichloroethane SCHEMBL4244691 | 1.00 | — | — | |
| 1,2-Dichloroethane SCHEMBL27874510 | 0.93 | — | — | |
| 1,2-Dichloroethane SCHEMBL4584447 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL19182749 | 0.91 | TSHR (1.00) | — | |
| 1,2-Dichloroethane SCHEMBL127 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL5324114 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL6233635 | 0.91 | — | — | |
| 1,2-Dichloroethane SCHEMBL546582 | 0.83 | — | — | |
| 1,2-Dichloroethane SCHEMBL7267024 | 0.83 | — | — | |
| 1,2-Dichloroethane SCHEMBL611530 | 0.83 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102464657-A | Chiral binuclear ligand containing two oxazolines and having pyridazine or phthalazine matrix skeleton and synthetic method thereof | UNIV SHANGHAI JIAOTONG | 2012-05-23 | — | — | CN | claimed |
| US-10464861-B2 | Asymmetric addition reactions | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2019-11-05 | — | — | US | disclosed |
| EP-3307698-B1 | ASYMMETRIC ADDITION REACTIONS | UNIV OXFORD INNOVATION LTD (GB) | 2019-09-18 | — | — | EP | disclosed |
| US-10364325-B2 | Borate esters | LOMBARDI JOHN L (US) | 2019-07-30 | — | — | US | disclosed |
| US-20180334414-A1 | ASYMMETRIC ADDITION REACTIONS | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2018-11-22 | — | — | US | disclosed |
| US-20170226287-A1 | BORATE ESTERS | LOMBARDI JOHN L (US) | 2017-08-10 | — | — | US | disclosed |
| US-9631052-B2 | Borate esters | LOMBARDI JOHN L (US) | 2017-04-25 | — | — | US | disclosed |
| US-20150376336-A1 | BORATE ESTERS | LOMBARDI JOHN L (US) | 2015-12-31 | — | — | US | disclosed |
| CN-102464657-A | Chiral binuclear ligand containing two oxazolines and having pyridazine or phthalazine matrix skeleton and synthetic method thereof | UNIV SHANGHAI JIAOTONG | 2012-05-23 | — | — | CN | disclosed |
| US-5643878-A | TREATMENT OF RETROVIRAL DISEASES LIKE AIDS | CIBA-GEIGY CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0490901-A4 | NOVEL SPIROFURANE DERIVATIVES. | FISONS CORP (US) | 1992-04-13 | — | — | EP | disclosed |
| EP-0260620-A2 | Liquid-cristal copolyethers | Montedison S.p.A. (IT) | 1988-03-23 | — | — | EP | disclosed |
| US-H334-H | Oxazole dyes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1987-09-01 | — | — | US | disclosed |
| US-4026907-A | INTERMEDIATES FOR ALPHA-TOCOPHEROL | HOFFMANN-LA ROCHE INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-4018799-A | INTERMEDIATES FOR TOCOPHEROL | HOFFMANN-LA ROCHE INC. (US) | 1977-04-19 | — | — | US | disclosed |
| US-4010176-A | Isoxazole substituted nitroimidazoles | MERCK & CO., INC. (US) | 1977-03-01 | — | — | US | disclosed |
| US-4003919-A | INTERMEDIATES FOR ALPHA-TOCOPHEROL | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |
| US-3947473-A | (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES | HOFFMAN-LA ROCHE INC. (US) | 1976-03-30 | — | — | US | disclosed |