⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6476932 | 0.91 | — | — | |
| SCHEMBL7472917 | 0.86 | — | — | |
| SCHEMBL6474991 | 0.80 | CTSL (0.35) | — | |
| SCHEMBL6485419 | 0.80 | — | — | |
| SCHEMBL6476390 | 0.80 | CTSL (0.30) | — | |
| SCHEMBL7472547 | 0.79 | CTSL (0.35) | — | |
| SCHEMBL6475998 | 0.77 | — | — | |
| SCHEMBL7464591 | 0.76 | CTSL (0.37) | — | |
| SCHEMBL7469401 | 0.74 | CTSL (0.36) | — | |
| SCHEMBL6589413 | 0.74 | CHRM2 (0.33) | — |
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-1178986-A2 | FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S | Medivir UK Ltd (GB) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000069855-A2 | FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S | MEDIVIR UK LIMITED (GB) | 2000-11-23 | — | — | WO | disclosed |