⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29022333 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29963476 | 0.98 | — | — | |
| SCHEMBL29022342 | 0.80 | BAZ2A (0.30) | — | |
| SCHEMBL29022340 | 0.80 | BAZ2A (0.30) | — | |
| Hydrochloric Acid SCHEMBL29962725 | 0.79 | — | — | |
| SCHEMBL29022288 | 0.66 | BAZ2A (0.32) | — | |
| SCHEMBL29022291 | 0.66 | BAZ2A (0.32) | — | |
| SCHEMBL29962792 | 0.66 | PRKACA (0.32) | — | |
| SCHEMBL7658984 | 0.66 | PRKACA (0.32) | — | |
| Hydrochloric Acid SCHEMBL29022282 | 0.64 | PRKACA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107793409-B | Dihydropyrimidine compound and application thereof in medicine | 广东东阳光药业有限公司 | 2022-09-27 | — | — | CN | disclosed |