⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22651217 | 0.74 | PI4KA (0.30) | — | |
| SCHEMBL21822892 | 0.73 | AXL (0.45) | — | |
| SCHEMBL4923588 | 0.73 | PI4KA (0.47) | — | |
| SCHEMBL22907635 | 0.68 | AADAT (0.32) | — | |
| SCHEMBL12395092 | 0.68 | AADAT (0.30) | — | |
| SCHEMBL31065836 | 0.66 | PIP4K2C (0.31) | — | |
| SCHEMBL654484 | 0.64 | PI4KA (0.57) | — | |
| SCHEMBL24469160 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL24473511 | 0.60 | MAPK1 (0.51) | — | |
| SCHEMBL20674119 | 0.59 | MMP2 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4467199-A2 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN Pharmaceutica NV (BE) | 2024-11-27 | — | — | EP | disclosed |
| EP-3976597-B1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2024-08-28 | — | — | EP | disclosed |