⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17402903 | 0.95 | — | — | |
| SCHEMBL20108707 | 0.94 | — | — | |
| SCHEMBL20108601 | 0.85 | CNR1 (0.51) | — | |
| SCHEMBL17402901 | 0.80 | — | — | |
| SCHEMBL17402894 | 0.79 | — | — | |
| SCHEMBL17403014 | 0.77 | — | — | |
| SCHEMBL17394091 | 0.76 | FLT3 (0.47) | — | |
| SCHEMBL20108702 | 0.74 | — | — | |
| SCHEMBL16015081 | 0.74 | — | — | |
| SCHEMBL17393850 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | 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 |
| EP-2964635-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | 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 |
| WO-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |