⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6594553 | 1.00 | — | — | |
| SCHEMBL7107534 | 0.90 | — | — | |
| SCHEMBL6594112 | 0.90 | — | — | |
| SCHEMBL6590711 | 0.90 | — | — | |
| SCHEMBL6592383 | 0.90 | — | — | |
| SCHEMBL6587477 | 0.87 | CTSL (0.35) | — | |
| SCHEMBL7421035 | 0.87 | CTSL (0.35) | — | |
| SCHEMBL6587967 | 0.87 | — | — | |
| SCHEMBL7424459 | 0.82 | — | — | |
| SCHEMBL6586610 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1413580-A1 | Furanone derivatives as inhibitors of Cathepsin S | Medivir UK Ltd (GB) | 2004-04-28 | — | — | EP | claimed |