⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL29225232 | 0.96 | — | — | |
| Chloromethane SCHEMBL27584162 | 0.92 | — | — | |
| Tetrahydrofuran SCHEMBL10823314 | 0.87 | — | — | |
| Tetrahydrofuran SCHEMBL27896308 | 0.85 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL8896085 | 0.83 | ALDH1A1 (0.67) | — | |
| Tetrahydrofuran SCHEMBL28649798 | 0.83 | — | — | |
| SCHEMBL2542127 | 0.82 | ALDH1A1 (0.80) | — | |
| Tetrahydrofuran SCHEMBL17162024 | 0.82 | — | — | |
| Tetrahydrofuran SCHEMBL4883877 | 0.82 | — | — | |
| SCHEMBL530594 | 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 |
|---|---|---|---|---|---|---|---|
| CN-103228653-B | The prodrug of the polycyclic carbamoylpyridone derivative be substituted | SHIONOGI & CO.,LTD. (JP) | 2016-03-16 | — | — | CN | disclosed |