⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13507877 | 0.75 | — | — | |
| SCHEMBL14641526 | 0.75 | — | — | |
| SCHEMBL30160680 | 0.73 | — | — | |
| SCHEMBL27995605 | 0.68 | — | — | |
| SCHEMBL7098284 | 0.68 | GBA1 (0.42) | — | |
| SCHEMBL20693033 | 0.65 | — | — | |
| SCHEMBL6209673 | 0.65 | — | — | |
| SCHEMBL15238118 | 0.65 | — | — | |
| SCHEMBL14189331 | 0.65 | — | — | |
| SCHEMBL4844472 | 0.65 | — | — |
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-1498411-B1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2013-01-16 | — | — | EP | disclosed |