⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9050627 | 0.64 | — | — | |
| SCHEMBL30936099 | 0.63 | — | — | |
| SCHEMBL31217587 | 0.62 | — | — | |
| SCHEMBL2111789 | 0.60 | — | — | |
| SCHEMBL15255064 | 0.59 | — | — | |
| SCHEMBL5655401 | 0.58 | — | — | |
| SCHEMBL28873800 | 0.57 | — | — | |
| SCHEMBL442824 | 0.55 | — | — | |
| SCHEMBL17104896 | 0.55 | — | — | |
| SCHEMBL12837720 | 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-114746407-B | Novel aromatic monothiol ketals as fragrances | 西姆莱斯股份公司 | 2024-06-21 | — | — | CN | disclosed |