⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17402860 | 0.86 | — | — | |
| SCHEMBL17402857 | 0.85 | GAA (0.56) | — | |
| SCHEMBL16015091 | 0.83 | — | — | |
| SCHEMBL17402859 | 0.82 | — | — | |
| SCHEMBL20108544 | 0.82 | — | — | |
| SCHEMBL31271903 | 0.79 | GAA (0.64) | — | |
| SCHEMBL18856546 | 0.78 | JAK2 (0.70) | — | |
| SCHEMBL18723762 | 0.77 | JAK2 (0.47) | — | |
| SCHEMBL17402858 | 0.76 | — | — | |
| SCHEMBL20108469 | 0.76 | — | — |
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 1 patent. 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 |