⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL432910 | 0.59 | — | — | |
| SCHEMBL336815 | 0.57 | — | — | |
| SCHEMBL2489441 | 0.54 | — | — | |
| SCHEMBL962989 | 0.45 | — | — | |
| SCHEMBL11615305 | 0.41 | — | — | |
| SCHEMBL72400 | 0.41 | — | — | |
| SCHEMBL13527427 | 0.36 | ALDH1A1 (0.38) | — | |
| SCHEMBL50259 | 0.32 | — | — | |
| Lithium SCHEMBL31457594 | 0.28 | KDM4E (0.36) | — | |
| SCHEMBL23040956 | 0.27 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8178547-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-15 | — | — | US | claimed |
| EP-2379534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | claimed |
| WO-2010072598-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | claimed |
| US-20100158860-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | STEINER SANDRA | 2010-06-24 | — | — | US | claimed |
| US-8178547-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-15 | — | — | US | disclosed |
| EP-2379534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010072598-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |
| US-20100158860-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | STEINER SANDRA | 2010-06-24 | — | — | US | disclosed |