⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11318891 | 0.73 | — | — | |
| SCHEMBL8708377 | 0.73 | — | — | |
| SCHEMBL20197283 | 0.73 | — | — | |
| SCHEMBL1198255 | 0.71 | — | — | |
| SCHEMBL344952 | 0.71 | — | — | |
| SCHEMBL2041379 | 0.71 | SMN1; SMN2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL2029121 | 0.70 | — | — | |
| SCHEMBL3861801 | 0.68 | — | — | |
| SCHEMBL5779031 | 0.67 | KMT2A (0.38) | — | |
| SCHEMBL20534645 | 0.67 | LMNA (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812431-A1 | 4-(PYRAZINE-2-YL)-PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006045615-A1 | 4- (PYRAZINE-2-YL) -PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-05-04 | — | — | WO | disclosed |