⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11040318 | 0.92 | — | — | |
| SCHEMBL106259 | 0.87 | — | — | |
| SCHEMBL17937713 | 0.86 | TSHR (0.38) | — | |
| SCHEMBL29201546 | 0.86 | TSHR (0.38) | — | |
| SCHEMBL29201592 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL703785 | 0.84 | — | — | |
| SCHEMBL4084527 | 0.82 | — | — | |
| SCHEMBL11271903 | 0.82 | — | — | |
| SCHEMBL9166007 | 0.82 | — | — | |
| SCHEMBL11271643 | 0.81 | — | — |
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 |