⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24763580 | 0.78 | CHRM3 (0.33) | — | |
| SCHEMBL24763582 | 0.76 | PDK1 (0.30) | — | |
| SCHEMBL24763579 | 0.76 | CHRM3 (0.41) | — | |
| SCHEMBL24763581 | 0.75 | CHRM3 (0.38) | — | |
| SCHEMBL24763645 | 0.74 | PDK1 (0.36) | — | |
| SCHEMBL13542696 | 0.67 | MEN1 (0.37) | — | |
| SCHEMBL18751714 | 0.65 | MEN1 (0.40) | — | |
| SCHEMBL18751713 | 0.65 | MEN1 (0.40) | — | |
| SCHEMBL18751712 | 0.65 | MEN1 (0.40) | — | |
| SCHEMBL18751710 | 0.65 | MEN1 (0.40) | — |
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-2022184103-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 武汉誉祥医药科技有限公司 | 2022-09-09 | — | — | WO | disclosed |