⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13700337 | 0.83 | PKM (0.30) | — | |
| SCHEMBL6346520 | 0.83 | PKM (0.30) | — | |
| SCHEMBL13103459 | 0.83 | PKM (0.30) | — | |
| Hydrochloric Acid SCHEMBL25333567 | 0.82 | PKM (0.39) | — | |
| SCHEMBL25922628 | 0.79 | CHRNB2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL30484767 | 0.77 | CHRNB2 (0.34) | — | |
| SCHEMBL8284523 | 0.75 | — | — | |
| SCHEMBL13818201 | 0.75 | — | — | |
| SCHEMBL14155253 | 0.75 | — | — | |
| SCHEMBL13447294 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1467989-B1 | PROLINE COMPOUNDS AS NS3-SERINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF HEPATITIS C VIRUS INFECTION | SCHERING CORP (US) | 2009-09-23 | — | — | EP | disclosed |