⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL1776110 | 1.00 | — | — | |
| SCHEMBL153744 | 1.00 | — | — | |
| SCHEMBL16540414 | 0.91 | ALDH1A1 (0.52) | — | |
| Dimethyl Sulfoxide SCHEMBL28104755 | 0.87 | ALDH1A1 (0.48) | — | |
| Methyl Isobutyl Ketone SCHEMBL106048 | 0.78 | ALDH1A1 (0.88) | — | |
| SCHEMBL3512468 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL5317803 | 0.77 | ALDH1A1 (0.50) | — | |
| Methyl Isobutyl Ketone SCHEMBL16684652 | 0.77 | TDP1 (0.74) | — | |
| SCHEMBL14430862 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL5665861 | 0.77 | ALDH1A1 (0.43) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12037317-B2 | Synthesis of 3-hydroxybutyryl 3-hydroxybutyrate and related compounds | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2024-07-16 | — | — | US | disclosed |
| US-20230374249-A1 | TEREPHTHALIC ACID ESTERS FORMATION | 9449710 CANADA INC. (CA) | 2023-11-23 | — | — | US | disclosed |
| US-20230125080-A1 | TEREPHTHALIC ACID ESTERS FORMATION | 9449710 CANADA INC. (CA) | 2023-04-27 | — | — | US | disclosed |
| US-9598393-B2 | Structural variants of mycolactones for use in modulating inflammation, immunity and pain | INSTITUT PASTEUR (FR) | 2017-03-21 | — | — | US | disclosed |
| US-20170007664-A1 | CYCLIC DEPSIPEPTIDE COMPOUNDS AND THEIR USES | CYPRALIS LIMITED (GB) | 2017-01-12 | — | — | US | disclosed |
| US-9382295-B2 | Cyclic depsipeptide compounds and their uses | CYPRALIS LIMITED (GB) | 2016-07-05 | — | — | US | disclosed |
| US-20150259386-A1 | CYCLIC DEPSIPEPTIDE COMPOUNDS AND THEIR USES | CYPRALIS LIMITED (GB) | 2015-09-17 | — | — | US | disclosed |
| US-20140330032-A1 | MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS | OPX BIOTECHNOLOGIES, INC. | 2014-11-06 | — | — | US | disclosed |
| US-20140329771-A1 | STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN | INSTITUT PASTEUR (FR) | 2014-11-06 | — | — | US | disclosed |
| WO-2013154325-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2013-10-17 | — | — | WO | disclosed |
| WO-2013063120-A2 | NMDA RECEPTOR MODULATORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2013-05-02 | — | — | WO | disclosed |
| EP-1763577-B1 | ALCOHOL DEHYDROGENASE FOR THE STEREOSELECTIVE PRODUCTION OF HYDROXY COMPOUNDS | CODEXIS INC (US) | 2010-10-06 | — | — | EP | disclosed |
| US-20100196974-A1 | Chemically Inducible Expression of Biosynthetic Pathways | METABOLIX, INC. | 2010-08-05 | — | — | US | disclosed |
| US-20090005355-A1 | Piperidine Compound and Process for Preparing the Same | TANABE SEIYAKU CO., LTD. (JP) | 2009-01-01 | — | — | US | disclosed |
| US-20090005355-A1 | Piperidine Compound and Process for Preparing the Same | TANABE SEIYAKU CO., LTD. (JP) | 2009-01-01 | — | — | US | disclosed |
| US-20070244158-A1 | Piperdine Compound and Process for Preparing the Same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-10-18 | — | — | US | disclosed |
| US-20070244158-A1 | Piperdine Compound and Process for Preparing the Same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-10-18 | — | — | US | disclosed |
| US-20070202333-A1 | effected in the presence of a molecular cluster compound where molecules of cluster compound act as seed or nucleation point upon which nanoparticle growth may be initiated; high-temperature nucleation step is not required | NANOCO TECHNOLOGIES LIMITED (GB) | 2007-08-30 | — | — | US | disclosed |
| US-20070072859-A1 | Pharmaceutical compounds | ELI LILLY AND COMPANY (US) | 2007-03-29 | — | — | US | disclosed |
| US-20070010695-A1 | Diphosphines, preparation and uses thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2007-01-11 | — | — | US | disclosed |