⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21765381 | 0.65 | — | — | |
| SCHEMBL12287529 | 0.61 | — | — | |
| SCHEMBL6136088 | 0.60 | — | — | |
| SCHEMBL19418026 | 0.60 | — | — | |
| SCHEMBL29042986 | 0.58 | — | — | |
| SCHEMBL21987848 | 0.58 | — | — | |
| SCHEMBL29105498 | 0.55 | — | — | |
| SCHEMBL28302696 | 0.54 | — | — | |
| SCHEMBL15780395 | 0.47 | — | — | |
| SCHEMBL12847209 | 0.45 | — | — |
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-112624984-B | 4-thio quinazoline diketone derivative and preparation method thereof | 内蒙古工业大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-112624984-A | 4-thio quinazoline diketone derivative and preparation method thereof | 内蒙古工业大学 | 2021-04-09 | — | — | CN | disclosed |