⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30992121 | 0.70 | — | — | |
| SCHEMBL10365618 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL14406272 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL18556681 | 0.67 | — | — | |
| SCHEMBL14519847 | 0.65 | GAA (0.39) | — | |
| SCHEMBL27416269 | 0.64 | MMP8 (0.32) | — | |
| SCHEMBL16021139 | 0.62 | — | — | |
| SCHEMBL5859583 | 0.61 | — | — | |
| SCHEMBL23643845 | 0.61 | TP53 (0.32) | — | |
| SCHEMBL268874 | 0.61 | — | — |
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-118373842-A | Alpha/beta-functionalized alkylsilane-based peroxide, method for free radical conversion under Fe catalysis and application thereof | 广东工业大学 | 2024-07-23 | — | — | CN | disclosed |