⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17394135 | 0.90 | — | — | |
| SCHEMBL17402839 | 0.85 | — | — | |
| SCHEMBL17393810 | 0.84 | — | — | |
| SCHEMBL17402828 | 0.83 | — | — | |
| SCHEMBL17402850 | 0.81 | — | — | |
| SCHEMBL17393907 | 0.81 | — | — | |
| SCHEMBL17394377 | 0.81 | GAA (0.61) | — | |
| SCHEMBL16471273 | 0.80 | GAA (0.63) | — | |
| SCHEMBL16014984 | 0.80 | — | — | |
| SCHEMBL17393850 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9693997-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9693997-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9693997-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-20160000760-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160000760-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160000760-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |