⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL616552 | 1.00 | — | — | |
| SCHEMBL218997 | 0.79 | — | — | |
| SCHEMBL571047 | 0.75 | — | — | |
| SCHEMBL29674842 | 0.75 | — | — | |
| SCHEMBL29455233 | 0.75 | — | — | |
| SCHEMBL78699 | 0.75 | — | — | |
| SCHEMBL15010 | 0.72 | — | — | |
| SCHEMBL6866139 | 0.72 | CYP3A4 (0.62) | — | |
| SCHEMBL18676904 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL180165 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |