⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL659161 | 0.79 | ALDH1A1 (0.32) | — | |
| Sulfurous Acid SCHEMBL27520616 | 0.77 | — | — | |
| Sulfurous Acid SCHEMBL3691612 | 0.77 | — | — | |
| Sulfurous Acid SCHEMBL28081521 | 0.75 | — | — | |
| Tert-Butylamine SCHEMBL31292820 | 0.75 | — | — | |
| Tert-Butanol SCHEMBL27715740 | 0.75 | CA1 (0.50) | — | |
| Sulfurous Acid SCHEMBL9458437 | 0.75 | CA1 (0.50) | — | |
| Tert-Butanol SCHEMBL27715741 | 0.75 | CA1 (0.50) | — | |
| Sulfurous Acid SCHEMBL25384389 | 0.72 | — | — | |
| Sulfurous Acid SCHEMBL28494869 | 0.72 | CA1 (0.46) | — |
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-112010723-A | New method for preparing diaryl methyl substituted thioether | 湖南理工学院 | 2020-12-01 | — | — | CN | disclosed |