⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15086639 | 0.82 | CTSL (0.37) | — | |
| SCHEMBL19744646 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL15064688 | 0.69 | — | — | |
| SCHEMBL19744878 | 0.68 | — | — | |
| SCHEMBL19744469 | 0.61 | CTSC (0.33) | — | |
| SCHEMBL19744796 | 0.61 | — | — | |
| SCHEMBL3831093 | 0.59 | CTSL (0.45) | — | |
| SCHEMBL19744901 | 0.58 | ALDH1A1 (0.30) | — | |
| SCHEMBL12095482 | 0.57 | TP53 (0.33) | — | |
| SCHEMBL7550636 | 0.57 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582660-B1 | NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS | MEDIVIR UK LTD (GB) | 2015-07-22 | — | — | EP | disclosed |
| EP-2752404-A1 | Cysteine protease inhibitors | Medivir UK Ltd (GB) | 2014-07-09 | — | — | EP | disclosed |
| EP-2582660-A1 | NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS | Medivir UK Ltd (GB) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011158197-A1 | NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS | MEDIVIR UK LIMITED (GB) | 2011-12-22 | — | — | WO | disclosed |