⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25690265 | 0.74 | SSTR4 (0.30) | — | |
| SCHEMBL24890216 | 0.72 | — | — | |
| SCHEMBL23958523 | 0.71 | JAK2 (0.32) | — | |
| SCHEMBL22600768 | 0.62 | — | — | |
| SCHEMBL24890371 | 0.62 | GRIN2D (0.32) | — | |
| SCHEMBL15688676 | 0.61 | — | — | |
| SCHEMBL22778611 | 0.57 | — | — | |
| SCHEMBL22778632 | 0.57 | — | — | |
| SCHEMBL26302520 | 0.57 | — | — | |
| SCHEMBL22038222 | 0.55 | — | — |
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-2023115327-A1 | PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION | 中国药科大学 | 2023-06-29 | — | — | WO | disclosed |