⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29201584 | 0.80 | — | — | |
| SCHEMBL1617162 | 0.80 | HSD17B10 (0.32) | — | |
| SCHEMBL29201591 | 0.79 | — | — | |
| SCHEMBL16497409 | 0.74 | — | — | |
| SCHEMBL6725059 | 0.71 | HSD17B10 (0.30) | — | |
| SCHEMBL29201654 | 0.70 | — | — | |
| SCHEMBL31142053 | 0.69 | — | — | |
| SCHEMBL5975705 | 0.68 | — | — | |
| SCHEMBL31142101 | 0.67 | HSD17B10 (0.30) | — | |
| SCHEMBL2398601 | 0.67 | ADRB2 (0.35) | — |
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 |