⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16544811 | 1.00 | — | — | |
| SCHEMBL16878435 | 0.92 | — | — | |
| SCHEMBL22642381 | 0.90 | ALDH1A1 (0.38) | — | |
| SCHEMBL25019222 | 0.90 | ALDH1A1 (0.38) | — | |
| SCHEMBL3960723 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL660990 | 0.85 | SLC6A1 (0.44) | — | |
| SCHEMBL18652989 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL15744086 | 0.82 | — | — | |
| SCHEMBL606973 | 0.82 | — | — | |
| SCHEMBL25853740 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3938047-B1 | BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES INC (US) | 2022-06-22 | — | — | EP | disclosed |