⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3174347 | 0.79 | — | — | |
| SCHEMBL16909965 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL431789 | 0.74 | — | — | |
| SCHEMBL107732 | 0.72 | HSD17B10 (0.32) | — | |
| SCHEMBL29240660 | 0.72 | — | — | |
| SCHEMBL426715 | 0.70 | HSD17B10 (0.35) | — | |
| SCHEMBL1002458 | 0.70 | — | — | |
| SCHEMBL105839 | 0.70 | HSD17B10 (0.35) | — | |
| SCHEMBL1840997 | 0.70 | — | — | |
| SCHEMBL3588291 | 0.70 | HSD17B10 (0.31) | — |
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 | disclosed |
| 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 |