⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32681568 | 0.82 | — | — | |
| SCHEMBL16963632 | 0.78 | — | — | |
| SCHEMBL5683110 | 0.75 | — | — | |
| SCHEMBL1042812 | 0.75 | — | — | |
| SCHEMBL30675167 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL29508586 | 0.73 | — | — | |
| SCHEMBL30532723 | 0.73 | — | — | |
| SCHEMBL8865924 | 0.72 | — | — | |
| Hydrazine SCHEMBL28121587 | 0.71 | — | — | |
| SCHEMBL9576097 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3199522-A1 | AMINOTHIOATE DERIVATIVES, PRODUCTION THEREOF AND USE | Solvay SA (BE) | 2017-08-02 | — | — | EP | disclosed |