⚠ 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 | |
|---|---|---|---|---|
| Thioacetamide SCHEMBL5999000 | 1.00 | LMNA (0.44) | — | |
| SCHEMBL1064151 | 0.86 | — | — | |
| Thioacetamide SCHEMBL28155309 | 0.78 | — | — | |
| Acetic Acid SCHEMBL6618956 | 0.74 | — | — | |
| Thioacetamide SCHEMBL22851 | 0.73 | — | — | |
| Thioacetamide SCHEMBL5998997 | 0.73 | TSHR (0.56) | — | |
| Thioacetamide SCHEMBL5998967 | 0.73 | — | — | |
| SCHEMBL10430338 | 0.71 | — | — | |
| SCHEMBL3826889 | 0.70 | — | — | |
| Acetamide SCHEMBL29032534 | 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 |
|---|---|---|---|---|---|---|---|
| US-20060078921-A1 | Biomarkers and expression profiles for toxicology | BOESS FRANZISKA | 2006-04-13 | — | — | US | disclosed |