⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3550423 | 0.69 | — | — | |
| SCHEMBL17854059 | 0.61 | — | — | |
| SCHEMBL596849 | 0.61 | — | — | |
| SCHEMBL450187 | 0.58 | — | — | |
| SCHEMBL4721151 | 0.56 | — | — | |
| SCHEMBL4724505 | 0.56 | — | — | |
| SCHEMBL9942365 | 0.54 | — | — | |
| SCHEMBL596805 | 0.53 | — | — | |
| SCHEMBL1144439 | 0.53 | GRIN2D (0.32) | — | |
| SCHEMBL179261 | 0.52 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210371386-A1 | MANUFACTURE OF HYDRAZINYL COMPOUNDS USEFUL IN THE MANUFACTURE OF PYRAZOLE CARBOXYLIC ACID AND DERIVATIVES, HYDRAZINYL COMPOUNDS AND THEIR USE | SOLVAY SA (BE) | 2021-12-02 | — | — | US | disclosed |
| US-20210040043-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY (BE) | 2021-02-11 | — | — | US | disclosed |
| US-10829456-B2 | Halogen substituted diketones, pyrazole compounds and processes for the manufacture of pyrazole compounds | SOLVAY SA (BE) | 2020-11-10 | — | — | US | disclosed |
| US-20190031616-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY SA (BE) | 2019-01-31 | — | — | US | disclosed |
| EP-2300417-B1 | PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS | BASF SE (DE) | 2015-07-22 | — | — | EP | disclosed |
| US-8592578-B2 | Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters | BASF SE (DE) | 2013-11-26 | — | — | US | disclosed |
| US-8586750-B2 | Method for the production of halogen-substituted 2-(aminomethylidene)-3-oxobutyric acid esters | BASF SE (DE) | 2013-11-19 | — | — | US | disclosed |
| US-20130041147-A1 | Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters | BASF SE (DE) | 2013-02-14 | — | — | US | disclosed |
| US-8314233-B2 | Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters | BASF SE (DE) | 2012-11-20 | — | — | US | disclosed |
| EP-2297111-B1 | METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS | BASF SE (DE) | 2012-06-20 | — | — | EP | disclosed |
| EP-2300417-A1 | PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS | BASF SE (DE) | 2011-03-30 | — | — | EP | disclosed |
| EP-2297111-A2 | METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS | BASF SE (DE) | 2011-03-23 | — | — | EP | disclosed |
| US-20110046371-A1 | PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS | BASF SE (DE) | 2011-02-24 | — | — | US | disclosed |
| US-20110040096-A1 | Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters | BASF SE (DE) | 2011-02-17 | — | — | US | disclosed |
| WO-2009133178-A1 | PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS | BASF SE (DE) | 2009-11-05 | — | — | WO | disclosed |
| WO-2009133179-A2 | METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS | BASF SE (DE) | 2009-11-05 | — | — | WO | disclosed |