⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15859407 | 0.92 | CTSL (0.30) | — | |
| SCHEMBL15859406 | 0.92 | CTSL (0.30) | — | |
| SCHEMBL15064330 | 0.81 | CTSS (0.40) | — | |
| SCHEMBL12070306 | 0.79 | HDAC4 (0.40) | — | |
| SCHEMBL15859442 | 0.76 | CTSS (0.42) | — | |
| SCHEMBL15859444 | 0.76 | CTSS (0.42) | — | |
| SCHEMBL15064627 | 0.73 | — | — | |
| SCHEMBL15859394 | 0.73 | — | — | |
| SCHEMBL15859395 | 0.73 | — | — | |
| SCHEMBL15859413 | 0.72 | CTSS (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150025250-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR UK LTD | 2015-01-22 | — | — | US | disclosed |
| US-8859505-B2 | Cysteine protease inhibitors | MEDIVIR UK LTD (GB) | 2014-10-14 | — | — | US | disclosed |
| US-20130172232-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR UK LTD (GB) | 2013-07-04 | — | — | US | disclosed |