⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8299757 | 0.94 | FLT3 (0.30) | — | |
| SCHEMBL8299425 | 0.92 | — | — | |
| SCHEMBL8300519 | 0.92 | — | — | |
| SCHEMBL8304354 | 0.87 | ESR1 (0.30) | — | |
| SCHEMBL8299747 | 0.85 | — | — | |
| SCHEMBL8302096 | 0.84 | BRS3 (0.32) | — | |
| SCHEMBL8521740 | 0.82 | — | — | |
| SCHEMBL8521278 | 0.78 | — | — | |
| SCHEMBL8303609 | 0.74 | ACHE (0.38) | — | |
| SCHEMBL7654107 | 0.73 | APLNR (0.32) | — |
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-0936221-A1 | NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT | LEAD CHEMICAL COMPANY LTD. (JP) | 1999-08-18 | — | — | EP | disclosed |