⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16059953 | 1.00 | — | — | |
| SCHEMBL109971 | 1.00 | — | — | |
| Acetaldehyde SCHEMBL1410064 | 0.90 | GRIK1 (0.34) | — | |
| Pyruvate SCHEMBL12003773 | 0.84 | GRIK1 (0.31) | — | |
| SCHEMBL14943775 | 0.83 | TP53 (0.36) | — | |
| SCHEMBL19615564 | 0.79 | SLC22A6 (0.36) | — | |
| SCHEMBL19615565 | 0.79 | SLC22A6 (0.36) | — | |
| SCHEMBL19615750 | 0.79 | SLC22A6 (0.36) | — | |
| SCHEMBL19615566 | 0.79 | SLC22A6 (0.36) | — | |
| 2-Oxoisohexanoate SCHEMBL43491 | 0.79 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230045710-A1 | AUTOMATED METHOD OF COMPUTATIONAL ENZYME IDENTIFICATION AND DESIGN | ARZEDA CORPORATION | 2023-02-09 | — | — | US | disclosed |
| US-11393556-B2 | Automated method of computational enzyme identification and design | ARZEDA CORPORATION (US) | 2022-07-19 | — | — | US | disclosed |
| US-20190325984-A1 | AUTOMATED METHOD OF COMPUTATIONAL ENZYME IDENTIFICATION AND DESIGN | ARZEDA CORPORATION | 2019-10-24 | — | — | US | disclosed |
| US-10246727-B2 | Fermentation route for the production of levulinic acid, levulinate esters and valerolactone and derivatives thereof | ARZEDA CORP. (US) | 2019-04-02 | — | — | US | disclosed |
| US-10025900-B2 | Automated method of computational enzyme identification and design | ARZEDA CORP. (US) | 2018-07-17 | — | — | US | disclosed |
| US-20170275657-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS AND VALEROLACTONE AND DERIVATIVES THEREOF | ARZEDA CORP. | 2017-09-28 | — | — | US | disclosed |
| US-20170137855-A1 | RECOMBINANT CELLS AND METHODS FOR NONPHOSPHORYLATIVE METABOLISM | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2017-05-18 | — | — | US | disclosed |
| US-9523105-B2 | Fermentation route for the production of levulinic acid, levulinate esters and valerolactone and derivatives thereof | ARZEDA CORPORATION (US) | 2016-12-20 | — | — | US | disclosed |
| US-20160063177-A1 | AUTOMATED METHOD OF COMPUTATIONAL ENZYME IDENTIFICATION AND DESIGN | ARZEDA CORP. | 2016-03-03 | — | — | US | disclosed |
| WO-2014144963-A1 | AUTOMATED METHOD OF COMPUTATIONAL ENZYME IDENTIFICATION AND DESIGN | ZANGHELLINI ALEXANDRE (US) | 2014-09-18 | — | — | WO | disclosed |
| US-20130330779-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS AND VALEROLACTONE AND DERIVATIVES THEREOF | ARZEDA CORPORATION | 2013-12-12 | — | — | US | disclosed |
| EP-2611764-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF | Arzeda Corp. (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012030860-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF | ARZEDA CORP. (US) | 2012-03-08 | — | — | WO | disclosed |