⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13075560 | 0.64 | — | — | |
| SCHEMBL19288629 | 0.62 | — | — | |
| SCHEMBL22841151 | 0.61 | — | — | |
| SCHEMBL24772390 | 0.61 | — | — | |
| SCHEMBL21387911 | 0.61 | — | — | |
| SCHEMBL2047566 | 0.60 | — | — | |
| SCHEMBL2541553 | 0.59 | — | — | |
| SCHEMBL21275016 | 0.59 | — | — | |
| SCHEMBL6519355 | 0.57 | — | — | |
| SCHEMBL21776037 | 0.55 | — | — |
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-117813279-A | Stereoselective preparation of trans-halogenated cyclobutanes | 安进公司 | 2024-04-02 | — | — | CN | disclosed |