⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7453888 | 1.00 | — | — | |
| SCHEMBL7448752 | 0.80 | CTSK (0.33) | — | |
| SCHEMBL7456061 | 0.80 | CTSK (0.33) | — | |
| SCHEMBL7451825 | 0.78 | PSEN1 (0.36) | — | |
| SCHEMBL7447808 | 0.77 | — | — | |
| SCHEMBL7447801 | 0.77 | — | — | |
| SCHEMBL7526170 | 0.74 | ARG1 (0.36) | — | |
| SCHEMBL7519612 | 0.74 | ARG1 (0.36) | — | |
| SCHEMBL7552350 | 0.71 | SYK (0.32) | — | |
| SCHEMBL7451863 | 0.71 | SYK (0.32) | — |
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-1153022-A4 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| EP-1153022-A1 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000049011-A1 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-08-24 | — | — | WO | disclosed |