⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29240635 | 0.86 | — | — | |
| SCHEMBL29201604 | 0.81 | — | — | |
| SCHEMBL29240666 | 0.79 | ADRB2 (0.30) | — | |
| SCHEMBL29240651 | 0.78 | — | — | |
| SCHEMBL28521564 | 0.76 | — | — | |
| SCHEMBL5833760 | 0.75 | — | — | |
| SCHEMBL319732 | 0.72 | — | — | |
| SCHEMBL29201639 | 0.71 | — | — | |
| SCHEMBL29240633 | 0.71 | — | — | |
| SCHEMBL28962091 | 0.71 | — | — |
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-117924347-A | Preparation method of monosulfur organosilane coupling agent | 江西宏柏新材料股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-117924347-A | Preparation method of monosulfur organosilane coupling agent | 江西宏柏新材料股份有限公司 | 2024-04-26 | — | — | CN | disclosed |