⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23055290 | 0.73 | — | — | |
| SCHEMBL21287534 | 0.69 | — | — | |
| SCHEMBL25788792 | 0.68 | — | — | |
| SCHEMBL21287273 | 0.68 | — | — | |
| SCHEMBL24071923 | 0.65 | — | — | |
| SCHEMBL23028393 | 0.65 | — | — | |
| SCHEMBL27311698 | 0.64 | — | — | |
| SCHEMBL26050629 | 0.64 | — | — | |
| SCHEMBL22520121 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL20007956 | 0.61 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021249324-A1 | ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 南京红云生物科技有限公司 | 2021-12-16 | — | — | WO | disclosed |