⚠ 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 | |
|---|---|---|---|---|
| Methylpyrrolidone SCHEMBL8055062 | 0.97 | BRD4 (1.00) | — | |
| Methylpyrrolidone SCHEMBL5423326 | 0.97 | — | — | |
| Methylpyrrolidone SCHEMBL1255511 | 0.97 | BRD4 (1.00) | — | |
| Methylpyrrolidone SCHEMBL487 | 0.97 | — | — | |
| Methylpyrrolidone SCHEMBL25409888 | 0.94 | — | — | |
| Methylpyrrolidone SCHEMBL12079053 | 0.94 | BRD4 (0.94) | — | |
| Methylpyrrolidone SCHEMBL8050526 | 0.94 | — | — | |
| Methylpyrrolidone SCHEMBL21599247 | 0.94 | — | — | |
| Methylpyrrolidone SCHEMBL11649612 | 0.94 | — | — | |
| Methylpyrrolidone SCHEMBL15347549 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105524097-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole inclusion 1-methyl-2-pyrrolidone cadmium complex single crystal | UNIV TIANJIN | 2016-04-27 | — | — | CN | claimed |
| CN-105524097-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole inclusion 1-methyl-2-pyrrolidone cadmium complex single crystal | UNIV TIANJIN | 2016-04-27 | — | — | CN | disclosed |
| CN-105524097-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole inclusion 1-methyl-2-pyrrolidone cadmium complex single crystal | UNIV TIANJIN | 2016-04-27 | — | — | CN | disclosed |
| CN-105524097-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole inclusion 1-methyl-2-pyrrolidone cadmium complex single crystal | UNIV TIANJIN | 2016-04-27 | — | — | CN | disclosed |