⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3974625 | 0.96 | MOGAT2 (0.31) | — | |
| SCHEMBL3969580 | 0.79 | ADRB3 (0.40) | — | |
| SCHEMBL8277060 | 0.79 | ADRB3 (0.40) | — | |
| SCHEMBL8278256 | 0.78 | REN (0.33) | — | |
| SCHEMBL13886148 | 0.78 | REN (0.33) | — | |
| SCHEMBL8279055 | 0.76 | ADRB3 (0.39) | — | |
| SCHEMBL3966755 | 0.76 | ADRB3 (0.38) | — | |
| SCHEMBL3966757 | 0.76 | ADRB3 (0.38) | — | |
| SCHEMBL3974620 | 0.76 | ADRB3 (0.39) | — | |
| SCHEMBL8279965 | 0.76 | ADRB3 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090286843-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-11-19 | — | — | US | disclosed |
| US-20090111969-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090111982-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090105471-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-23 | — | — | US | disclosed |
| US-7491794-B2 | Macrocyclic compounds as inhibitors of viral replication | INTERMUNE, INC. (US) | 2009-02-17 | — | — | US | disclosed |