⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3834814 | 0.74 | — | — | |
| SCHEMBL25381363 | 0.71 | — | — | |
| SCHEMBL18529174 | 0.70 | — | — | |
| SCHEMBL11188253 | 0.70 | — | — | |
| SCHEMBL11793403 | 0.70 | — | — | |
| SCHEMBL9641464 | 0.67 | — | — | |
| SCHEMBL8824459 | 0.67 | — | — | |
| SCHEMBL11176776 | 0.67 | — | — | |
| SCHEMBL12184003 | 0.65 | — | — | |
| SCHEMBL30092324 | 0.65 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130330779-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS AND VALEROLACTONE AND DERIVATIVES THEREOF | ARZEDA CORPORATION | 2013-12-12 | — | — | US | claimed |
| EP-2611764-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF | Arzeda Corp. (US) | 2013-07-10 | — | — | EP | claimed |
| WO-2012030860-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF | ARZEDA CORP. (US) | 2012-03-08 | — | — | WO | claimed |
| CN-117486710-A | Photocatalytic synthesis method of succinic acid compounds | 北京大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-117486838-A | Photocatalytic synthesis method of 2 (5H) -furanone compound | 北京大学 | 2024-02-02 | — | — | CN | disclosed |
| 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 |
| WO-2016044770-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC. (US) | 2016-03-24 | — | — | WO | disclosed |
| CN-103420959-B | Method for synthesizing hydroxyl butenolide and congeners thereof | BEIJING INST FASHION TECH | 2015-04-15 | — | — | CN | disclosed |
| CN-103420959-A | Method for synthesizing hydroxyl butenolide and congeners thereof | BEIJING INST FASHION TECH | 2013-12-04 | — | — | CN | disclosed |
| US-20090042888-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A | 2009-02-12 | — | — | US | disclosed |
| US-7115591-B2 | Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders | ABBOTT LABORATORIES (US) | 2006-10-03 | — | — | US | disclosed |
| US-20030225276-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2003-12-04 | — | — | US | disclosed |
| US-20020028938-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2002-03-07 | — | — | US | disclosed |
| US-20020013318-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A (US) | 2002-01-31 | — | — | US | disclosed |
| US-6307047-B1 | PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS | ABBOTT LABORATORIES | 2001-10-23 | — | — | US | disclosed |
| EP-1124804-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-1007515-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | Abbott Laboratories (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-2000024719-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2000-05-04 | — | — | WO | disclosed |
| WO-1999010331-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-03-04 | — | — | WO | disclosed |
| US-3992416-A | 4-Oxa-5-hydroxypolycycloalkenones-(3) | BASF AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | disclosed |