⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19158625 | 0.87 | — | — | |
| SCHEMBL19220568 | 0.86 | — | — | |
| SCHEMBL19220554 | 0.73 | — | — | |
| SCHEMBL19220553 | 0.73 | — | — | |
| SCHEMBL19158206 | 0.72 | — | — | |
| SCHEMBL19220552 | 0.71 | — | — | |
| SCHEMBL19220551 | 0.66 | — | — | |
| SCHEMBL20014601 | 0.63 | MAPK1 (0.37) | — | |
| SCHEMBL19220535 | 0.61 | SLC22A2 (0.32) | — | |
| SCHEMBL19220518 | 0.61 | SLC22A2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10011613-B2 | Polycyclic pyridone derivative having integrase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2018-07-03 | — | — | US | disclosed |
| US-20170226128-A1 | POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-08-10 | — | — | US | disclosed |