⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8290422 | 1.00 | — | — | |
| SCHEMBL8045437 | 0.94 | PSMB9 (0.34) | — | |
| SCHEMBL7860503 | 0.92 | — | — | |
| SCHEMBL12607434 | 0.89 | — | — | |
| SCHEMBL8036262 | 0.89 | — | — | |
| SCHEMBL12607151 | 0.88 | — | — | |
| SCHEMBL12606704 | 0.88 | — | — | |
| SCHEMBL8290534 | 0.86 | — | — | |
| SCHEMBL12606650 | 0.86 | — | — | |
| SCHEMBL8053405 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1664092-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2011-02-02 | — | — | EP | disclosed |
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |