⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6058674 | 1.00 | — | — | |
| Malonic Acid SCHEMBL5996614 | 0.79 | TP53 (0.69) | — | |
| SCHEMBL28222063 | 0.79 | TP53 (0.42) | — | |
| SCHEMBL517270 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28829123 | 0.78 | TP53 (0.43) | — | |
| SCHEMBL6409374 | 0.78 | LDHA (0.40) | — | |
| SCHEMBL3440791 | 0.78 | LDHA (0.40) | — | |
| Malonic Acid SCHEMBL30288562 | 0.78 | LDHA (0.64) | — | |
| SCHEMBL5685805 | 0.77 | — | — | |
| SCHEMBL527423 | 0.77 | LDHA (0.44) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098807-B | Fermentation pathways for the production of levulinic acid, levulinic acid esters, valerolactone, and derivatives thereof | 阿泽达公司 | 2020-07-10 | — | — | CN | 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-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-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-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 |
| CN-103180279-A | Fermentation pathways for the production of levulinic acid, levulinic acid esters, valerolactone, and derivatives thereof | ARZEDA CORP | 2013-06-26 | — | — | CN | 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 |