⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7401720 | 0.92 | — | — | |
| SCHEMBL4770203 | 0.83 | — | — | |
| SCHEMBL6589335 | 0.81 | — | — | |
| SCHEMBL6900187 | 0.79 | CTSL (0.31) | — | |
| SCHEMBL4764940 | 0.75 | — | — | |
| SCHEMBL6591384 | 0.75 | — | — | |
| SCHEMBL6594360 | 0.73 | — | — | |
| SCHEMBL6602296 | 0.72 | CTSL (0.32) | — | |
| SCHEMBL7010236 | 0.72 | — | — | |
| SCHEMBL7428038 | 0.71 | — | — |
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-1232155-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-11-20 | — | — | EP | disclosed |
| EP-1232155-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2002-08-21 | — | — | EP | disclosed |
| WO-2001034599-A9 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-05-10 | — | — | WO | disclosed |
| WO-2001034599-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |