⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29201549 | 0.84 | — | — | |
| SCHEMBL29240633 | 0.81 | — | — | |
| SCHEMBL29201706 | 0.78 | — | — | |
| SCHEMBL29201624 | 0.77 | — | — | |
| SCHEMBL29201621 | 0.77 | HSD17B10 (0.32) | — | |
| SCHEMBL1609052 | 0.75 | HSD17B10 (0.31) | — | |
| SCHEMBL5834052 | 0.73 | HSD17B10 (0.30) | — | |
| SCHEMBL29201702 | 0.73 | HSD17B10 (0.30) | — | |
| SCHEMBL706280 | 0.71 | HSD17B10 (0.35) | — | |
| SCHEMBL28113965 | 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 1 patent. 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 |