⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25085578 | 0.60 | — | — | |
| SCHEMBL11937437 | 0.56 | — | — | |
| SCHEMBL19920717 | 0.56 | — | — | |
| SCHEMBL2055584 | 0.54 | — | — | |
| SCHEMBL24818756 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL3393436 | 0.52 | — | — | |
| SCHEMBL140216 | 0.52 | — | — | |
| SCHEMBL12434602 | 0.51 | — | — | |
| SCHEMBL347837 | 0.51 | — | — | |
| SCHEMBL16450714 | 0.48 | GRIN2D (0.42) | — |
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-2022258044-A1 | PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-12-15 | — | — | WO | disclosed |