⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15067002 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL27460010 | 0.75 | ACHE (0.31) | — | |
| SCHEMBL15846775 | 0.73 | RAPGEF4 (0.31) | — | |
| SCHEMBL8763861 | 0.70 | RAPGEF4 (0.33) | — | |
| SCHEMBL28111316 | 0.70 | — | — | |
| SCHEMBL1070019 | 0.69 | RAPGEF4 (0.33) | — | |
| SCHEMBL28733988 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL4843302 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL9800417 | 0.66 | RAPGEF4 (0.33) | — | |
| SCHEMBL16219594 | 0.64 | HTR7 (0.41) | — |
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-113195641-A | Sulfoxonium ylide derivatives as probes for cysteine proteases | 武田药品工业株式会社 | 2021-07-30 | — | — | CN | disclosed |