⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7035054 | 0.87 | — | — | |
| SCHEMBL7032619 | 0.85 | — | — | |
| SCHEMBL5743591 | 0.82 | — | — | |
| SCHEMBL6093202 | 0.79 | CTSL (0.39) | — | |
| SCHEMBL7412268 | 0.79 | CTSL (0.39) | — | |
| SCHEMBL7036864 | 0.74 | — | — | |
| SCHEMBL6589057 | 0.74 | CTSL (0.31) | — | |
| SCHEMBL7523800 | 0.73 | CTSL (0.30) | — | |
| SCHEMBL6587760 | 0.73 | CTSL (0.30) | — | |
| SCHEMBL7032706 | 0.70 | CTSK (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030203900-A1 | Cysteine protease inhibitors | MEDIVIR UK LTD (GB) | 2003-10-30 | — | — | US | claimed |
| US-20030203900-A1 | Cysteine protease inhibitors | MEDIVIR UK LTD (GB) | 2003-10-30 | — | — | US | disclosed |