⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24244859 | 0.84 | CA12 (0.39) | — | |
| SCHEMBL6566647 | 0.82 | — | — | |
| SCHEMBL134714 | 0.81 | — | — | |
| SCHEMBL11372643 | 0.80 | — | — | |
| SCHEMBL9683654 | 0.79 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL28387640 | 0.78 | — | — | |
| SCHEMBL19646890 | 0.78 | CA12 (0.39) | — | |
| SCHEMBL8059664 | 0.78 | CA12 (0.59) | — | |
| SCHEMBL8637059 | 0.77 | — | — | |
| SCHEMBL871699 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018041763-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2018-03-08 | — | — | WO | disclosed |