⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30812485 | 1.00 | — | — | |
| SCHEMBL11038502 | 0.80 | — | — | |
| SCHEMBL12073563 | 0.80 | — | — | |
| SCHEMBL9560228 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9560227 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL22170041 | 0.77 | — | — | |
| SCHEMBL11037871 | 0.77 | — | — | |
| SCHEMBL13298209 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL28336741 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL13298274 | 0.75 | SMN1; SMN2 (0.31) | — |
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-117486818-A | N-phenyl thiotriazinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-02 | — | — | CN | disclosed |