⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1189118 | 0.87 | PRKAG1 (0.57) | — | |
| SCHEMBL1040106 | 0.86 | — | — | |
| SCHEMBL1189960 | 0.86 | PRKAG1 (0.54) | — | |
| SCHEMBL1191281 | 0.86 | PRKAG1 (0.54) | — | |
| SCHEMBL1040123 | 0.84 | — | — | |
| SCHEMBL1190269 | 0.84 | PRKAG1 (0.52) | — | |
| SCHEMBL1191119 | 0.83 | PRKAG1 (0.47) | — | |
| SCHEMBL1038659 | 0.83 | — | — | |
| SCHEMBL1190953 | 0.83 | — | — | |
| SCHEMBL1190828 | 0.83 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602144-A | ADMINISTERING FOR TREATMENT OF CEREBRAL ISCHAEMIA OR SCHIZOPHRENIA | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | claimed |
| EP-0717044-A1 | Thienopyridone derivatives, their preparation and their use as NMDA-receptor antagonists | MERCK PATENT GmbH (DE) | 1996-06-19 | — | — | EP | claimed |
| EP-1915150-B1 | USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 2011-01-26 | — | — | EP | disclosed |
| US-20090105293-A1 | USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK PATENT GESELLSCHAFT (DE) | 2009-04-23 | — | — | US | disclosed |
| EP-1915150-A1 | USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Merck Patent GmbH (DE) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007019914-A1 | USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 2007-02-22 | — | — | WO | disclosed |
| EP-1754483-A1 | Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them | Merck Sante (FR) | 2007-02-21 | — | — | EP | disclosed |
| US-5602144-A | ADMINISTERING FOR TREATMENT OF CEREBRAL ISCHAEMIA OR SCHIZOPHRENIA | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0717044-A1 | Thienopyridone derivatives, their preparation and their use as NMDA-receptor antagonists | MERCK PATENT GmbH (DE) | 1996-06-19 | — | — | EP | disclosed |