⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28551179 | 0.74 | — | — | |
| SCHEMBL6899739 | 0.69 | — | — | |
| SCHEMBL4420043 | 0.68 | — | — | |
| SCHEMBL15255064 | 0.68 | — | — | |
| SCHEMBL5655401 | 0.67 | — | — | |
| SCHEMBL9050627 | 0.61 | — | — | |
| SCHEMBL28225745 | 0.61 | — | — | |
| SCHEMBL8893930 | 0.60 | — | — | |
| SCHEMBL30936100 | 0.60 | — | — | |
| SCHEMBL27365357 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2445875-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. Hoffmann-La Roche AG (CH) | 2012-05-02 | — | — | EP | disclosed |
| US-8158631-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100330032-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | CHIN ELBERT | 2010-12-30 | — | — | US | disclosed |
| WO-2010149598-A2 | HETEROCYCLIC ANTIVIRAL COMPOUND | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-29 | — | — | WO | disclosed |