⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15466919 | 0.89 | — | — | |
| SCHEMBL125186 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL7247225 | 0.85 | — | — | |
| Dimethylamine SCHEMBL1827745 | 0.72 | — | — | |
| SCHEMBL4645232 | 0.69 | — | — | |
| SCHEMBL111229 | 0.67 | — | — | |
| Butane SCHEMBL3052765 | 0.66 | — | — | |
| SCHEMBL862384 | 0.66 | — | — | |
| SCHEMBL14996456 | 0.65 | — | — | |
| SCHEMBL19198620 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215774-B | Deuteration method of methyl sulfide compound | 复旦大学 | 2024-02-09 | — | — | CN | disclosed |
| CN-115215774-A | Deuteration method of methyl sulfide compound | 复旦大学 | 2022-10-21 | — | — | CN | disclosed |