⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24615829 | 0.64 | — | — | |
| SCHEMBL24342353 | 0.63 | — | — | |
| SCHEMBL13714893 | 0.61 | — | — | |
| SCHEMBL26917639 | 0.59 | — | — | |
| SCHEMBL24649147 | 0.58 | — | — | |
| SCHEMBL25450652 | 0.58 | — | — | |
| SCHEMBL19766483 | 0.58 | — | — | |
| SCHEMBL31344897 | 0.57 | — | — | |
| SCHEMBL727714 | 0.57 | NPSR1 (0.48) | — | |
| SCHEMBL31344912 | 0.57 | — | — |
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-119569681-A | Oxabicyclo [2.1.1] hexane derivative and synthesis method thereof | 南宁师范大学 | 2025-03-07 | — | — | CN | disclosed |