⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2442172 | 0.72 | POLB (0.30) | — | |
| SCHEMBL1477646 | 0.67 | — | — | |
| SCHEMBL5569142 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL2440835 | 0.66 | GBA1 (0.32) | — | |
| SCHEMBL874699 | 0.65 | — | — | |
| SCHEMBL1856117 | 0.65 | — | — | |
| SCHEMBL538438 | 0.65 | — | — | |
| SCHEMBL3744044 | 0.65 | — | — | |
| SCHEMBL122103 | 0.65 | — | — | |
| SCHEMBL31649405 | 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-115583927-B | Thioether compound, and preparation method and application thereof | 华南师范大学 | 2024-07-12 | — | — | CN | disclosed |