⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21859947 | 0.78 | LRRK2 (0.31) | — | |
| SCHEMBL24311874 | 0.78 | LRRK2 (0.31) | — | |
| SCHEMBL12384238 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL12384748 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL12385835 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL19786458 | 0.66 | — | — | |
| SCHEMBL22182248 | 0.65 | DYRK1A (0.34) | — | |
| SCHEMBL12384804 | 0.65 | MEN1 (0.34) | — | |
| SCHEMBL19368984 | 0.65 | MAP3K12 (0.32) | — | |
| SCHEMBL19324472 | 0.65 | CYP1A2 (0.33) | — |
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 |