⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22843367 | 0.69 | TAS1R3 (0.30) | — | |
| SCHEMBL21913652 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL24996384 | 0.69 | CXCR2 (0.33) | — | |
| SCHEMBL10110335 | 0.67 | — | — | |
| SCHEMBL17591352 | 0.67 | PDE3B (0.37) | — | |
| SCHEMBL24995614 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL22901363 | 0.64 | — | — | |
| SCHEMBL21477589 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL13557977 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL24174576 | 0.63 | NOS3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230234954-A1 | COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF | TYK MEDICINES, INC. (CN) | 2023-07-27 | — | — | US | disclosed |