⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29287368 | 0.78 | — | — | |
| SCHEMBL28017122 | 0.76 | — | — | |
| SCHEMBL27653870 | 0.71 | — | — | |
| SCHEMBL28214128 | 0.68 | HPGD (0.55) | — | |
| SCHEMBL28138793 | 0.68 | — | — | |
| SCHEMBL28154457 | 0.67 | — | — | |
| SCHEMBL28154465 | 0.67 | — | — | |
| SCHEMBL27312549 | 0.66 | HCAR2 (0.41) | — | |
| SCHEMBL27677855 | 0.64 | LMNA (0.62) | — | |
| SCHEMBL25429060 | 0.63 | — | — |
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-104163791-B | N-pyridine (hetero) aryl amide compound and preparation method and application thereof | 湖南化工研究院 | 2017-05-03 | — | — | CN | disclosed |