⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2936999 | 1.00 | ALDH1A1 (0.35) | — | |
| SCHEMBL3512318 | 0.90 | — | — | |
| SCHEMBL2387121 | 0.78 | — | — | |
| SCHEMBL26644593 | 0.67 | TRIM24 (0.50) | — | |
| SCHEMBL21386407 | 0.67 | TRIM24 (0.50) | — | |
| SCHEMBL6027741 | 0.66 | ALDH1A1 (0.47) | — | |
| SCHEMBL17477583 | 0.62 | ALDH1A1 (0.58) | — | |
| SCHEMBL17477579 | 0.62 | ALDH1A1 (0.58) | — | |
| SCHEMBL7170234 | 0.62 | — | — | |
| SCHEMBL24465100 | 0.61 | CA1 (0.50) | — |
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-1140897-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1140897-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039115-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |