⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13337538 | 1.00 | — | — | |
| SCHEMBL14596219 | 0.76 | NR1H2 (0.30) | — | |
| SCHEMBL14155394 | 0.75 | MMP2 (0.34) | — | |
| SCHEMBL24739167 | 0.72 | NR1H2 (0.40) | — | |
| SCHEMBL12604456 | 0.72 | — | — | |
| SCHEMBL12604453 | 0.69 | — | — | |
| SCHEMBL12604451 | 0.69 | — | — | |
| SCHEMBL13684849 | 0.69 | — | — | |
| SCHEMBL13684691 | 0.66 | — | — | |
| SCHEMBL13337549 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |