⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5971472 | 0.94 | — | — | |
| SCHEMBL6900187 | 0.92 | CTSL (0.31) | — | |
| SCHEMBL6602296 | 0.85 | CTSL (0.32) | — | |
| SCHEMBL4762955 | 0.84 | PSEN1 (0.32) | — | |
| SCHEMBL5971336 | 0.82 | IRAK4 (0.33) | — | |
| SCHEMBL7401720 | 0.81 | — | — | |
| SCHEMBL6213705 | 0.79 | CTSL (0.31) | — | |
| SCHEMBL6214191 | 0.76 | — | — | |
| SCHEMBL4768808 | 0.76 | — | — | |
| SCHEMBL4762019 | 0.76 | — | — |
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-1278502-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-05-21 | — | — | EP | disclosed |
| EP-1278502-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001089451-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-11-29 | — | — | WO | disclosed |