⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL8520886 | 0.78 | CA1 (0.50) | — | |
| SCHEMBL15068452 | 0.76 | CA1 (0.46) | — | |
| SCHEMBL15584 | 0.76 | — | — | |
| SCHEMBL9245163 | 0.76 | CA1 (0.39) | — | |
| Propene SCHEMBL23361925 | 0.74 | MEN1 (0.44) | — | |
| Methoxymethane SCHEMBL5417681 | 0.74 | MEN1 (0.44) | — | |
| Methylamine SCHEMBL3265606 | 0.74 | — | — | |
| Propene SCHEMBL29001622 | 0.74 | MEN1 (0.44) | — | |
| Propene SCHEMBL314173 | 0.74 | MEN1 (0.44) | — | |
| Chloromethane SCHEMBL15265334 | 0.74 | — | — |
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-115417791-A | Oxime ether 1,3-cyclohexanedione compound and synthetic method and application thereof | 郑州手性药物研究院有限公司 | 2022-12-02 | — | — | CN | disclosed |