⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13634282 | 0.78 | — | — | |
| SCHEMBL13162772 | 0.78 | MTOR (0.40) | — | |
| SCHEMBL13162767 | 0.78 | MTOR (0.40) | — | |
| SCHEMBL13634291 | 0.76 | LDHA (0.36) | — | |
| SCHEMBL13638848 | 0.75 | PDE10A (0.32) | — | |
| SCHEMBL15888628 | 0.72 | GAA (0.43) | — | |
| SCHEMBL13162283 | 0.72 | LMNA (0.37) | — | |
| SCHEMBL13161925 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL13161933 | 0.70 | — | — | |
| SCHEMBL13161907 | 0.68 | RAB9A (0.37) | — |
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-8304547-B2 | Azolecarboxamide compound or salt thereof | ASTELLAS PHARMA INC. (JP) | 2012-11-06 | — | — | US | disclosed |