⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217939 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL29350921 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL7939455 | 0.70 | — | — | |
| SCHEMBL29460954 | 0.70 | — | — | |
| SCHEMBL136280 | 0.70 | — | — | |
| SCHEMBL17260720 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL2961830 | 0.68 | — | — | |
| SCHEMBL12153190 | 0.68 | — | — | |
| SCHEMBL620327 | 0.68 | — | — | |
| SCHEMBL2877700 | 0.68 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2635562-B1 | PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-09-03 | — | — | EP | claimed |
| EP-2635562-A1 | PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-09-11 | — | — | EP | claimed |
| US-8524710-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-09-03 | — | — | US | claimed |
| WO-2012059507-A1 | PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-05-10 | — | — | WO | claimed |
| US-20120115843-A1 | NOVEL PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-05-10 | — | — | US | claimed |
| EP-2635562-B1 | PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-09-03 | — | — | EP | disclosed |
| EP-2635562-A1 | PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-09-11 | — | — | EP | disclosed |
| US-8524710-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-09-03 | — | — | US | disclosed |
| WO-2012059507-A1 | PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-05-10 | — | — | WO | disclosed |
| US-20120115843-A1 | NOVEL PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-05-10 | — | — | US | disclosed |