⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188294 | 0.75 | CA1 (0.30) | — | |
| SCHEMBL28239207 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL2085247 | 0.73 | CA2 (0.41) | — | |
| SCHEMBL8768950 | 0.71 | — | — | |
| SCHEMBL2721777 | 0.68 | CA1 (0.37) | — | |
| SCHEMBL1345425 | 0.66 | CA1 (0.35) | — | |
| SCHEMBL9578619 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL29162625 | 0.65 | CA1 (0.30) | — | |
| SCHEMBL798349 | 0.64 | — | — | |
| SCHEMBL9578535 | 0.64 | CA2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1259506-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6387911-B1 | Pyrazinone thrombin inhibitors | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| WO-2001038323-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2001-05-31 | — | — | WO | disclosed |