⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2066341 | 0.75 | — | — | |
| SCHEMBL19262269 | 0.74 | — | — | |
| SCHEMBL2474893 | 0.70 | — | — | |
| SCHEMBL2474895 | 0.70 | — | — | |
| SCHEMBL282711 | 0.69 | — | — | |
| SCHEMBL19981239 | 0.69 | — | — | |
| SCHEMBL20792914 | 0.69 | — | — | |
| SCHEMBL470456 | 0.67 | — | — | |
| SCHEMBL23034417 | 0.67 | — | — | |
| SCHEMBL35605 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010074607-A2 | ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE | АЛЛА XEM, ЛЛС (US) | 2010-07-01 | — | — | WO | disclosed |