⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2116156 | 0.73 | — | — | |
| SCHEMBL10529744 | 0.73 | APP (0.56) | — | |
| SCHEMBL10895825 | 0.71 | — | — | |
| SCHEMBL13760002 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2118014 | 0.71 | DAO (0.45) | — | |
| SCHEMBL10529738 | 0.68 | APP (0.40) | — | |
| SCHEMBL9346702 | 0.68 | TDP1 (0.43) | — | |
| SCHEMBL10892930 | 0.68 | APP (0.40) | — | |
| Hydrochloric Acid SCHEMBL9658601 | 0.67 | TDP1 (0.42) | — | |
| SCHEMBL12381075 | 0.67 | DAO (0.45) | — |
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-104529885-B | Has multiple bioactive pyridone ketone derivatives and application thereof | 浙江工商大学 | 2016-06-22 | — | — | CN | disclosed |