⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7009758 | 0.99 | — | — | |
| SCHEMBL6203188 | 0.84 | PSEN1 (0.31) | — | |
| SCHEMBL4765368 | 0.83 | PSEN1 (0.33) | — | |
| SCHEMBL5971336 | 0.82 | IRAK4 (0.33) | — | |
| SCHEMBL6604897 | 0.81 | HTR6 (0.31) | — | |
| SCHEMBL6591072 | 0.81 | PTGDR2 (0.33) | — | |
| SCHEMBL5970851 | 0.81 | RPS6KB1 (0.33) | — | |
| SCHEMBL4761997 | 0.79 | IRAK4 (0.33) | — | |
| SCHEMBL6588819 | 0.78 | KCNH2 (0.33) | — | |
| SCHEMBL7428571 | 0.75 | RPLP1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539178-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004017911-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |