⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20663356 | 0.72 | — | — | |
| SCHEMBL23958987 | 0.70 | — | — | |
| SCHEMBL15593398 | 0.66 | — | — | |
| SCHEMBL21298622 | 0.62 | — | — | |
| SCHEMBL14147502 | 0.62 | — | — | |
| SCHEMBL29327182 | 0.62 | — | — | |
| SCHEMBL21482811 | 0.62 | — | — | |
| SCHEMBL16255951 | 0.61 | — | — | |
| SCHEMBL20227762 | 0.61 | — | — | |
| SCHEMBL17703283 | 0.61 | — | — |
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-20230019491-A1 | PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF | EMD Serono Research and Development Institute, Inc. | 2023-01-19 | — | — | US | disclosed |