⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5214355 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL5215003 | 0.88 | ADORA2B (0.30) | — | |
| SCHEMBL13697152 | 0.87 | GPR119 (0.31) | — | |
| SCHEMBL5215951 | 0.86 | GPR88 (0.34) | — | |
| SCHEMBL5218898 | 0.85 | GPR88 (0.32) | — | |
| SCHEMBL5644673 | 0.85 | DRD4 (0.30) | — | |
| SCHEMBL4160788 | 0.85 | CYP3A4 (0.32) | — | |
| SCHEMBL14540612 | 0.85 | L3MBTL1 (0.34) | — | |
| SCHEMBL5218383 | 0.85 | DRD4 (0.31) | — | |
| SCHEMBL5213580 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090227600-A1 | 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-09-10 | — | — | US | disclosed |
| US-7259163-B2 | 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors | GLAXO GROUP LIMITED (GB) | 2007-08-21 | — | — | US | disclosed |
| EP-1440069-B1 | 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS | GLAXO GROUP LTD (GB) | 2007-08-15 | — | — | EP | disclosed |
| US-20050043390-A1 | 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors | GLAXO GROUP LIMITED (GB) | 2005-02-24 | — | — | US | disclosed |