⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29201553 | 0.82 | — | — | |
| SCHEMBL2861372 | 0.80 | — | — | |
| SCHEMBL2857941 | 0.72 | — | — | |
| SCHEMBL29201554 | 0.71 | — | — | |
| SCHEMBL3895637 | 0.71 | — | — | |
| SCHEMBL1781373 | 0.70 | — | — | |
| SCHEMBL2472304 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL29201647 | 0.67 | — | — | |
| SCHEMBL2744531 | 0.67 | — | — | |
| SCHEMBL2959940 | 0.66 | ALDH1A1 (0.33) | — |
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-117924346-A | Multi-sulfur-containing silane coupling agent and preparation method thereof | 江西宏柏新材料股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-117924346-A | Multi-sulfur-containing silane coupling agent and preparation method thereof | 江西宏柏新材料股份有限公司 | 2024-04-26 | — | — | CN | disclosed |