⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20375458 | 0.83 | — | — | |
| SCHEMBL3259513 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL10722626 | 0.74 | — | — | |
| SCHEMBL6874301 | 0.70 | — | — | |
| SCHEMBL7986956 | 0.67 | — | — | |
| SCHEMBL9768004 | 0.64 | — | — | |
| SCHEMBL2592232 | 0.63 | — | — | |
| SCHEMBL9086142 | 0.63 | — | — | |
| SCHEMBL11182940 | 0.60 | — | — | |
| SCHEMBL18285261 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040029875-A1 | Novel aminotriazolone compounds, method for preparing same and pharmaceutical compositions containing same | LES LABORATOIRES SERVIER (FR) | 2004-02-12 | — | — | US | disclosed |