⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3821278 | 0.82 | IDUA (0.31) | — | |
| SCHEMBL28093271 | 0.82 | IDUA (0.31) | — | |
| SCHEMBL9556151 | 0.81 | — | — | |
| SCHEMBL1950301 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL28641674 | 0.79 | — | — | |
| SCHEMBL30490352 | 0.78 | MAPK1 (0.33) | — | |
| SCHEMBL28242019 | 0.77 | IDUA (0.32) | — | |
| Acetic Acid SCHEMBL27310914 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL27966923 | 0.76 | — | — | |
| SCHEMBL185267 | 0.75 | LGALS3 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105859708-A | Salts of dihydropyrimidine derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-105859708-A | Salts of dihydropyrimidine derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2016-08-17 | — | — | CN | disclosed |