⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702783 | 1.00 | — | — | |
| SCHEMBL1702499 | 0.95 | BRD4 (0.31) | — | |
| SCHEMBL3759270 | 0.90 | BRAF (0.31) | — | |
| SCHEMBL1702918 | 0.84 | — | — | |
| SCHEMBL2448600 | 0.83 | CYP3A4 (0.30) | — | |
| SCHEMBL2446608 | 0.79 | PDE2A (0.30) | — | |
| SCHEMBL2452215 | 0.75 | CYP3A4 (0.30) | — | |
| SCHEMBL2452973 | 0.73 | — | — | |
| SCHEMBL2448080 | 0.73 | — | — | |
| SCHEMBL1702278 | 0.71 | IKBKB (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440528-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-10-08 | — | — | EP | claimed |
| US-8026253-B2 | Quinoline inhibitors of HCV polymerase | ROCHE PALO ALTO LLC (US) | 2011-09-27 | — | — | US | claimed |
| US-20100311760-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | DE VICENTE FIDALGO JAVIER | 2010-12-09 | — | — | US | claimed |