⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29148232 | 0.92 | — | — | |
| SCHEMBL26674171 | 0.72 | — | — | |
| SCHEMBL31039667 | 0.68 | — | — | |
| SCHEMBL29148253 | 0.67 | — | — | |
| SCHEMBL27522655 | 0.67 | — | — | |
| SCHEMBL7683063 | 0.67 | — | — | |
| SCHEMBL1728399 | 0.64 | EPHX1 (0.46) | — | |
| Methyl Carbamate SCHEMBL3189053 | 0.63 | — | — | |
| SCHEMBL5695559 | 0.62 | — | — | |
| SCHEMBL4619141 | 0.62 | — | — |
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-117486818-A | N-phenyl thiotriazinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-02 | — | — | CN | claimed |
| CN-117486818-A | N-phenyl thiotriazinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-02 | — | — | CN | disclosed |