⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7067157 | 0.97 | ANPEP (0.31) | — | |
| SCHEMBL15916667 | 0.78 | ANPEP (0.40) | — | |
| SCHEMBL7260295 | 0.77 | — | — | |
| Dioxane SCHEMBL25176962 | 0.77 | TTR (0.38) | — | |
| SCHEMBL5199147 | 0.75 | ANPEP (0.38) | — | |
| SCHEMBL298586 | 0.71 | — | — | |
| SCHEMBL18056974 | 0.71 | ANPEP (0.32) | — | |
| SCHEMBL16136329 | 0.69 | ANPEP (0.31) | — | |
| SCHEMBL22664164 | 0.69 | ANPEP (0.31) | — | |
| SCHEMBL18400901 | 0.69 | — | — |
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-110678466-A | Naphthyridines as HPK1 inhibitors | 豪夫迈·罗氏有限公司 | 2020-01-10 | — | — | CN | disclosed |