⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21319065 | 0.85 | MEN1 (0.36) | — | |
| SCHEMBL21318942 | 0.84 | KMT2A (0.34) | — | |
| SCHEMBL21319054 | 0.82 | ADORA3 (0.43) | — | |
| SCHEMBL21318981 | 0.82 | TOP2A (0.33) | — | |
| SCHEMBL21318947 | 0.74 | USP28 (0.39) | — | |
| SCHEMBL19945665 | 0.73 | ABCB1 (0.38) | — | |
| SCHEMBL21318940 | 0.73 | ADORA3 (0.42) | — | |
| SCHEMBL19945779 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL21318976 | 0.72 | ADORA3 (0.37) | — | |
| SCHEMBL21318984 | 0.72 | KMT2A (0.34) | — |
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-3294740-B1 | NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |