⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30992128 | 0.98 | — | — | |
| SCHEMBL30992161 | 0.94 | CYP19A1 (0.33) | — | |
| SCHEMBL27725658 | 0.74 | — | — | |
| SCHEMBL23168690 | 0.74 | GRIN1 (0.33) | — | |
| SCHEMBL30992129 | 0.72 | POLB (0.34) | — | |
| SCHEMBL8464668 | 0.71 | POLB (0.30) | — | |
| SCHEMBL30992120 | 0.71 | POLB (0.33) | — | |
| SCHEMBL30992153 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL30295356 | 0.70 | — | — | |
| SCHEMBL8467069 | 0.69 | GRIN2D (0.33) | — |
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 |