⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1275326 | 0.62 | — | — | |
| SCHEMBL3590744 | 0.62 | — | — | |
| SCHEMBL19112134 | 0.56 | — | — | |
| SCHEMBL3453050 | 0.54 | — | — | |
| SCHEMBL18339634 | 0.54 | — | — | |
| SCHEMBL21727995 | 0.50 | — | — | |
| SCHEMBL15360053 | 0.50 | — | — | |
| SCHEMBL12020214 | 0.49 | — | — | |
| SCHEMBL15987161 | 0.49 | — | — | |
| SCHEMBL18753132 | 0.49 | — | — |
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-2773638-B1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | HOFFMANN LA ROCHE (CH) | 2015-10-07 | — | — | EP | disclosed |