⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2053528 | 0.85 | — | — | |
| SCHEMBL23152232 | 0.85 | — | — | |
| SCHEMBL19616931 | 0.77 | — | — | |
| SCHEMBL13849167 | 0.77 | — | — | |
| SCHEMBL3934461 | 0.72 | — | — | |
| SCHEMBL17381981 | 0.72 | CYP2D6 (0.33) | — | |
| SCHEMBL28588194 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL24723668 | 0.71 | GAA (0.40) | — | |
| SCHEMBL12478346 | 0.70 | — | — | |
| SCHEMBL12477793 | 0.70 | — | — |
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-2022166920-A1 | PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-08-11 | — | — | WO | disclosed |