⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31167432 | 1.00 | — | — | |
| SCHEMBL3463681 | 0.96 | — | — | |
| SCHEMBL17797606 | 0.92 | — | — | |
| SCHEMBL16877485 | 0.92 | — | — | |
| SCHEMBL1037990 | 0.92 | — | — | |
| SCHEMBL17797570 | 0.92 | — | — | |
| SCHEMBL14759743 | 0.89 | — | — | |
| SCHEMBL3464818 | 0.88 | — | — | |
| SCHEMBL14759992 | 0.81 | — | — | |
| SCHEMBL14784477 | 0.76 | — | — |
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-118834187-A | 6, 6-Difluoro-5-oxygen/azaspiro [2.4] heptane compound and preparation method thereof | 常州大学 | 2024-10-25 | — | — | CN | disclosed |
| CN-118834187-A | 6, 6-Difluoro-5-oxygen/azaspiro [2.4] heptane compound and preparation method thereof | 常州大学 | 2024-10-25 | — | — | CN | disclosed |
| CN-118834187-A | 6, 6-Difluoro-5-oxygen/azaspiro [2.4] heptane compound and preparation method thereof | 常州大学 | 2024-10-25 | — | — | CN | disclosed |