⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16014523 | 0.90 | ATM (0.35) | — | |
| SCHEMBL17394271 | 0.89 | FEN1 (0.41) | — | |
| SCHEMBL17393938 | 0.89 | PTGS2 (0.45) | — | |
| SCHEMBL17393856 | 0.88 | — | — | |
| SCHEMBL17394158 | 0.87 | FEN1 (0.36) | — | |
| SCHEMBL17394276 | 0.86 | — | — | |
| SCHEMBL17394236 | 0.85 | — | — | |
| SCHEMBL17394265 | 0.85 | — | — | |
| SCHEMBL17394029 | 0.83 | — | — | |
| SCHEMBL17394004 | 0.83 | — | — |
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-9693997-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | claimed |
| US-20160000760-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | claimed |
| 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-20160000760-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |