⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL563796 | 1.00 | — | — | |
| SCHEMBL14690544 | 0.78 | — | — | |
| SCHEMBL8923843 | 0.77 | — | — | |
| SCHEMBL25281135 | 0.76 | — | — | |
| SCHEMBL28259478 | 0.71 | — | — | |
| SCHEMBL5035574 | 0.63 | MTNR1A (0.41) | — | |
| SCHEMBL27386789 | 0.62 | — | — | |
| SCHEMBL3736282 | 0.62 | — | — | |
| SCHEMBL4926015 | 0.62 | — | — | |
| SCHEMBL383251 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3931197-B1 | PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE | HOFFMANN LA ROCHE (CH) | 2024-04-24 | — | — | EP | disclosed |
| US-20220162212-A1 | PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE | HOFFMANN-LA ROCHE INC. (US) | 2022-05-26 | — | — | US | disclosed |
| US-20220162212-A1 | PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE | HOFFMANN-LA ROCHE INC. (US) | 2022-05-26 | — | — | US | disclosed |
| EP-3931197-A1 | PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE | F. Hoffmann-La Roche AG (CH) | 2022-01-05 | — | — | EP | disclosed |
| CN-113454088-A | Process for the preparation of (6S) -3- [ (4S) -4-cyano-2-oxo-pyrrolidin-1-yl ] -6-methyl-N- (3,4, 5-trifluorophenyl) -6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine-5-carboxamide | 豪夫迈·罗氏有限公司 | 2021-09-28 | — | — | CN | disclosed |