⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627685 | 0.69 | — | — | |
| SCHEMBL15739022 | 0.69 | — | — | |
| SCHEMBL27436195 | 0.69 | — | — | |
| SCHEMBL7054552 | 0.69 | — | — | |
| SCHEMBL10715341 | 0.67 | — | — | |
| SCHEMBL27553838 | 0.67 | — | — | |
| SCHEMBL4775216 | 0.67 | — | — | |
| SCHEMBL11830557 | 0.67 | — | — | |
| SCHEMBL5828221 | 0.65 | — | — | |
| SCHEMBL9069890 | 0.65 | — | — |
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-114560760-A | Method for synthesizing diterpene Pepluanol A in Euphorbiaceae | 浙江大学杭州国际科创中心 | 2022-05-31 | — | — | CN | disclosed |