⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20014601 | 0.85 | MAPK1 (0.37) | — | |
| SCHEMBL20014401 | 0.84 | — | — | |
| SCHEMBL20015197 | 0.84 | — | — | |
| SCHEMBL20015261 | 0.84 | — | — | |
| SCHEMBL20015178 | 0.81 | ITGB3 (0.38) | — | |
| SCHEMBL10446100 | 0.75 | PARP1 (0.36) | — | |
| SCHEMBL20014654 | 0.75 | HTT (0.46) | — | |
| SCHEMBL2186281 | 0.74 | TP53 (0.43) | — | |
| SCHEMBL2186609 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL82568 | 0.74 | LIPG (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |
| EP-2444400-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE | SHIONOGI & CO (JP) | 2018-03-28 | — | — | EP | disclosed |