⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38651931 | 0.86 | — | — | |
| SCHEMBL409920 | 0.78 | MAPT (0.43) | — | |
| SCHEMBL31220775 | 0.77 | — | — | |
| SCHEMBL11892656 | 0.77 | CYP1A2 (0.50) | — | |
| SCHEMBL409798 | 0.69 | L3MBTL3 (0.41) | — | |
| Tepa SCHEMBL11572 | 0.67 | ABCB11 (0.38) | — | |
| SCHEMBL11578342 | 0.62 | — | — | |
| SCHEMBL3392230 | 0.61 | FDPS (0.33) | — | |
| SCHEMBL654555 | 0.61 | — | — | |
| SCHEMBL6041079 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110627833-B | Oridonin derivative, and preparation and application thereof | 石家庄学院 | 2024-04-19 | — | — | CN | disclosed |
| CN-109705187-B | Tripterine derivative and preparation method and application thereof | 石家庄学院 | 2021-08-20 | — | — | CN | disclosed |
| CN-110627833-A | Oridonin derivative and preparation and application thereof | 石家庄学院 | 2019-12-31 | — | — | CN | disclosed |