⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7037426 | 1.00 | — | — | |
| SCHEMBL7034075 | 0.99 | — | — | |
| SCHEMBL7039306 | 0.83 | — | — | |
| SCHEMBL7037259 | 0.82 | — | — | |
| SCHEMBL7034478 | 0.81 | — | — | |
| SCHEMBL7036262 | 0.81 | — | — | |
| SCHEMBL6515332 | 0.75 | EPHX1 (0.30) | — | |
| SCHEMBL5743669 | 0.74 | — | — | |
| SCHEMBL6513931 | 0.69 | — | — | |
| SCHEMBL6265799 | 0.63 | ALOX5 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1345931-A2 | CYSTEINE PROTEASE INHIBITORS | Medivir UK Ltd (GB) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002040462-A2 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR UK LIMITED (GB) | 2002-05-23 | — | — | WO | disclosed |