⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6043624 | 0.73 | — | — | |
| SCHEMBL3626628 | 0.72 | — | — | |
| SCHEMBL3629035 | 0.72 | — | — | |
| SCHEMBL15847058 | 0.71 | — | — | |
| SCHEMBL20943646 | 0.69 | — | — | |
| SCHEMBL129299 | 0.69 | — | — | |
| SCHEMBL47719 | 0.69 | — | — | |
| SCHEMBL19629045 | 0.69 | — | — | |
| SCHEMBL19851145 | 0.67 | — | — | |
| SCHEMBL13948249 | 0.67 | — | — |
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-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |