⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27501259 | 0.98 | — | — | |
| SCHEMBL8670174 | 0.74 | — | — | |
| SCHEMBL25404655 | 0.71 | — | — | |
| SCHEMBL15645602 | 0.70 | — | — | |
| SCHEMBL872395 | 0.67 | — | — | |
| SCHEMBL2705118 | 0.66 | — | — | |
| SCHEMBL27570510 | 0.63 | — | — | |
| SCHEMBL7870298 | 0.62 | — | — | |
| SCHEMBL2991159 | 0.62 | — | — | |
| SCHEMBL5919651 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102405211-B | Proline derivatives as cathepsin inhibitors | HOFFMANN LA ROCHE | 2015-01-21 | — | — | CN | disclosed |
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| CN-102405211-A | Proline derivatives as cathepsin inhibitors | HOFFMANN LA ROCHE | 2012-04-04 | — | — | CN | disclosed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | US | disclosed |