⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1598086 | 0.85 | — | — | |
| SCHEMBL7952543 | 0.82 | FDPS (0.31) | — | |
| SCHEMBL10795904 | 0.82 | — | — | |
| SCHEMBL9644765 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL7952546 | 0.82 | LMNA (0.33) | — | |
| SCHEMBL28686473 | 0.82 | OPRM1 (0.37) | — | |
| SCHEMBL12159524 | 0.82 | EPHX1 (0.39) | — | |
| SCHEMBL10975411 | 0.80 | — | — | |
| SCHEMBL20118883 | 0.77 | — | — | |
| SCHEMBL27489979 | 0.77 | — | — |
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-114106033-A | 3-alkyl propyl thioether-based triethoxysilane and preparation method and application thereof | 山东阳谷华泰化工股份有限公司 | 2022-03-01 | — | — | CN | disclosed |