⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101801 | 0.82 | CYP1A2 (0.42) | — | |
| SCHEMBL8888937 | 0.80 | — | — | |
| SCHEMBL10292049 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL9994980 | 0.79 | ALOX15 (0.38) | — | |
| SCHEMBL27357579 | 0.79 | CYP1A2 (0.48) | — | |
| SCHEMBL510818 | 0.78 | — | — | |
| SCHEMBL8382485 | 0.77 | ALOX15 (0.46) | — | |
| SCHEMBL10293523 | 0.77 | CYP1A2 (0.47) | — | |
| SCHEMBL254842 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL2105848 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11040048-B2 | Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug | SHIONOGI & CO., LTD. (JP) | 2021-06-22 | — | — | US | disclosed |
| US-20200261481-A1 | A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG | SHIONOGI & CO., LTD. (JP) | 2020-08-20 | — | — | US | disclosed |