⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9188946 | 0.85 | HTR2A (0.48) | — | |
| SCHEMBL9188953 | 0.85 | HTR2A (0.48) | — | |
| SCHEMBL7320473 | 0.77 | — | — | |
| SCHEMBL21847765 | 0.77 | HTR2A (0.43) | — | |
| SCHEMBL407041 | 0.77 | — | — | |
| SCHEMBL5004183 | 0.77 | — | — | |
| SCHEMBL27454887 | 0.77 | HTR2A (0.43) | — | |
| SCHEMBL15478712 | 0.74 | — | — | |
| SCHEMBL5868504 | 0.74 | — | — | |
| SCHEMBL5868507 | 0.74 | — | — |
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-2023001247-A1 | PYRIDAZINONE COMPOUND | 南京明德新药研发有限公司 | 2023-01-26 | — | — | WO | disclosed |