⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22746393 | 0.75 | — | — | |
| SCHEMBL15479672 | 0.67 | — | — | |
| SCHEMBL18977623 | 0.67 | — | — | |
| SCHEMBL19936878 | 0.66 | TRPA1 (0.32) | — | |
| SCHEMBL1054620 | 0.63 | — | — | |
| SCHEMBL20675902 | 0.63 | — | — | |
| SCHEMBL14298451 | 0.61 | — | — | |
| SCHEMBL24565059 | 0.60 | — | — | |
| SCHEMBL873618 | 0.59 | — | — | |
| SCHEMBL24511041 | 0.59 | — | — |
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-2022104348-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2022-05-19 | — | — | WO | disclosed |