⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4079517 | 0.75 | ADK (0.44) | — | |
| SCHEMBL1468966 | 0.71 | — | — | |
| SCHEMBL18540748 | 0.66 | LRRK2 (0.30) | — | |
| SCHEMBL1470626 | 0.65 | — | — | |
| SCHEMBL18540669 | 0.63 | HTR1A (0.31) | — | |
| SCHEMBL12993630 | 0.63 | PTGDR2 (0.30) | — | |
| SCHEMBL18527151 | 0.62 | NR3C1 (0.32) | — | |
| SCHEMBL5346142 | 0.62 | BRD4 (0.31) | — | |
| SCHEMBL17817725 | 0.62 | — | — | |
| SCHEMBL2113207 | 0.62 | — | — |
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-20230416256-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | JANSSEN PHARAMCEUTICA NV (BE) | 2023-12-28 | — | — | US | disclosed |