⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL222936 | 0.87 | — | — | |
| SCHEMBL362383 | 0.86 | — | — | |
| SCHEMBL13319906 | 0.74 | — | — | |
| SCHEMBL2152053 | 0.70 | DUT (0.30) | — | |
| SCHEMBL223474 | 0.69 | — | — | |
| SCHEMBL5529022 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL2151940 | 0.67 | HTT (0.41) | — | |
| SCHEMBL29257617 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL29257618 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL5081792 | 0.66 | TSHR (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534132-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2017-04-26 | — | — | EP | disclosed |
| US-8354444-B2 | Substituted pyrrolidine-2-carboxamides | HOFFMANN-LA ROCHE INC. (US) | 2013-01-15 | — | — | US | disclosed |
| EP-2534132-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. Hoffmann-La Roche AG (CH) | 2012-12-19 | — | — | EP | disclosed |
| EP-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |
| WO-2012007409-A1 | N-SUBSTITUTED PYRROLIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |
| US-20120010235-A1 | N-SUBSTITUTED PYRROLIDINES | CHU XIN-JIE (US) | 2012-01-12 | — | — | US | disclosed |
| WO-2011098398-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-18 | — | — | WO | disclosed |
| EP-2340021-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. Hoffmann-La Roche AG (CH) | 2011-07-06 | — | — | EP | disclosed |
| US-20100152190-A1 | Substituted Pyrrolidine-2-Carboxamides | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-17 | — | — | US | disclosed |
| US-20100075948-A1 | Substituted Pyrrolidine-2-Carboxamides | DING QINGJIE | 2010-03-25 | — | — | US | disclosed |
| WO-2010031713-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |