⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL190903 | 0.97 | — | — | |
| Methylamine SCHEMBL28339090 | 0.69 | — | — | |
| SCHEMBL6003356 | 0.67 | ADORA3 (0.58) | — | |
| SCHEMBL2730482 | 0.65 | — | — | |
| SCHEMBL2135352 | 0.63 | — | — | |
| SCHEMBL998696 | 0.63 | — | — | |
| SCHEMBL1081582 | 0.63 | — | — | |
| SCHEMBL14152234 | 0.63 | CNR2 (0.31) | — | |
| SCHEMBL2215220 | 0.63 | — | — | |
| SCHEMBL1263604 | 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-110520422-A | Novel pyridone carboxylic acid derivatives or its salt | WAKUNAGA PHARMA CO LTD | 2019-11-29 | — | — | CN | disclosed |