⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28132599 | 0.92 | CPB2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL20238941 | 0.78 | — | — | |
| SCHEMBL696010 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL27994053 | 0.75 | — | — | |
| Trifluoroacetic Acid SCHEMBL22553135 | 0.75 | — | — | |
| Trifluoroacetic Acid SCHEMBL2106912 | 0.75 | — | — | |
| Hypochlorous Acid SCHEMBL2378452 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL345144 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL1201605 | 0.72 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28038248 | 0.72 | ALDH1A1 (0.30) | — |
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-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 |
| 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 |