⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50477 | 0.97 | — | — | |
| SCHEMBL28597552 | 0.97 | TSHR (0.42) | — | |
| Methyl Alcohol SCHEMBL3935368 | 0.94 | TSHR (0.40) | — | |
| Alcohol SCHEMBL28122272 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL28298949 | 0.90 | THRB (0.43) | — | |
| SCHEMBL29250541 | 0.90 | THRB (0.43) | — | |
| Tetramethylammonium Ion SCHEMBL8050131 | 0.90 | TSHR (0.37) | — | |
| SCHEMBL170051 | 0.89 | — | — | |
| SCHEMBL23302194 | 0.86 | THRB (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL2792661 | 0.86 | CA12 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116120246-B | 3-Butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2024-11-19 | — | — | CN | claimed |
| CN-116120246-A | 3-butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2023-05-16 | — | — | CN | claimed |
| CN-116120246-B | 3-Butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2024-11-19 | — | — | CN | disclosed |
| CN-116120246-B | 3-Butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2024-11-19 | — | — | CN | disclosed |
| CN-116120246-A | 3-butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-116120246-A | 3-butyl-2 (1H) quinoxalinone compound and preparation method thereof | 常州大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-104412721-A | Laminated board for circuit board, metal-base circuit board, and power module | NHK SPRING CO LTD | 2015-03-11 | — | — | CN | disclosed |