⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1608 | 0.91 | — | — | |
| SCHEMBL2128645 | 0.91 | MGAM (0.56) | — | |
| SCHEMBL10389469 | 0.91 | MGAM (0.56) | — | |
| Hydrogen Sulfide SCHEMBL18045364 | 0.87 | — | — | |
| SCHEMBL9505534 | 0.87 | MGAM (0.53) | — | |
| SCHEMBL11241352 | 0.87 | — | — | |
| Water SCHEMBL23151837 | 0.87 | MGAM (0.53) | — | |
| SCHEMBL21404928 | 0.87 | — | — | |
| SCHEMBL22325638 | 0.87 | — | — | |
| SCHEMBL21404935 | 0.87 | — | — |
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-109503650-A | The preparation method of γ-(2,3- glycidoxy) propyl trimethoxy silicane | 湖北新蓝天新材料股份有限公司 | 2019-03-22 | — | — | CN | disclosed |