⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7511362 | 0.88 | FFAR3 (0.31) | — | |
| SCHEMBL28021173 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL21001097 | 0.77 | — | — | |
| SCHEMBL21001037 | 0.77 | — | — | |
| Propane SCHEMBL1984333 | 0.74 | FFAR3 (0.30) | — | |
| SCHEMBL23636327 | 0.74 | — | — | |
| SCHEMBL28353604 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL9847811 | 0.70 | CYP2C19 (0.33) | — | |
| SCHEMBL1285848 | 0.69 | FFAR3 (0.37) | — | |
| SCHEMBL29955880 | 0.69 | FFAR3 (0.37) | — |
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-2442809-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Incorporated (US) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010148197-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-23 | — | — | WO | disclosed |