⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28261603 | 0.73 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL49488 | 0.67 | — | — | |
| SCHEMBL4279648 | 0.67 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL31482438 | 0.65 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL9464948 | 0.65 | — | — | |
| SCHEMBL12997656 | 0.62 | — | — | |
| SCHEMBL21117676 | 0.62 | — | — | |
| SCHEMBL614801 | 0.57 | — | — | |
| SCHEMBL6864145 | 0.57 | — | — | |
| SCHEMBL5729822 | 0.57 | — | — |
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-104968654-B | Substituted 2-aminopyridine albuminoid kinase inhibitor | CHIA TAI TIANQING PHARMACEUTICAL GROUP Co.,Ltd. (CN) | 2018-06-01 | — | — | CN | disclosed |