⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29240623 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL29240638 | 0.78 | — | — | |
| SCHEMBL29240622 | 0.78 | — | — | |
| SCHEMBL29240663 | 0.75 | — | — | |
| SCHEMBL29240700 | 0.74 | — | — | |
| SCHEMBL3698202 | 0.72 | — | — | |
| SCHEMBL27591381 | 0.72 | — | — | |
| SCHEMBL29240621 | 0.72 | — | — | |
| SCHEMBL27943188 | 0.70 | — | — | |
| SCHEMBL29201635 | 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 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 |