⚠ 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 SCHEMBL28233458 | 0.92 | LMNA (0.50) | — | |
| Acetic Acid SCHEMBL6618956 | 0.87 | — | — | |
| Thioacetamide SCHEMBL5998997 | 0.85 | TSHR (0.56) | — | |
| Thioacetamide SCHEMBL5998967 | 0.85 | — | — | |
| Thioacetamide SCHEMBL22851 | 0.85 | — | — | |
| Acetamide SCHEMBL29032534 | 0.82 | — | — | |
| Acetone SCHEMBL9212890 | 0.80 | — | — | |
| Thioacetamide SCHEMBL11777807 | 0.80 | — | — | |
| Thioacetamide SCHEMBL10589443 | 0.80 | — | — | |
| Acetamide SCHEMBL21296186 | 0.80 | — | — |
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-106732669-A | A kind of MoS as photoelectrocatalysis liberation of hydrogen material2/In2S3Composite catalyst and preparation method thereof | 北京化工大学 | 2017-05-31 | — | — | CN | disclosed |