⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7874304 | 0.85 | — | — | |
| SCHEMBL7876212 | 0.81 | F2 (0.38) | — | |
| SCHEMBL3243121 | 0.75 | F2 (0.42) | — | |
| SCHEMBL7867175 | 0.73 | SLC6A2 (0.31) | — | |
| SCHEMBL7876037 | 0.73 | PDE2A (0.31) | — | |
| SCHEMBL7876016 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL7867166 | 0.72 | NOS1 (0.36) | — | |
| SCHEMBL7874308 | 0.72 | AURKA (0.31) | — | |
| SCHEMBL7874352 | 0.72 | F2 (0.46) | — | |
| SCHEMBL7876222 | 0.72 | OPRM1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | claimed |
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | disclosed |