⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5471418 | 0.81 | MAPT (0.39) | — | |
| SCHEMBL5463831 | 0.81 | MAPT (0.39) | — | |
| SCHEMBL9642482 | 0.79 | — | — | |
| SCHEMBL27391827 | 0.77 | — | — | |
| SCHEMBL3328326 | 0.77 | — | — | |
| SCHEMBL5470099 | 0.77 | RNPEP (0.37) | — | |
| SCHEMBL22276923 | 0.77 | CA2 (0.44) | — | |
| SCHEMBL22981486 | 0.75 | RNPEP (0.56) | — | |
| SCHEMBL18818920 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL15072143 | 0.75 | ACE (0.42) | — |
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-111440109-B | Preparation method of N-methyl-3-methyl mercapto-4-amino maleimide compound | 温州医科大学 | 2023-07-28 | — | — | CN | claimed |
| CN-111440109-B | Preparation method of N-methyl-3-methyl mercapto-4-amino maleimide compound | 温州医科大学 | 2023-07-28 | — | — | CN | disclosed |