⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13634291 | 0.81 | LDHA (0.36) | — | |
| SCHEMBL15888628 | 0.79 | GAA (0.43) | — | |
| SCHEMBL13638810 | 0.78 | — | — | |
| SCHEMBL16603221 | 0.77 | F2RL3 (0.44) | — | |
| SCHEMBL13634284 | 0.74 | PDK1 (0.40) | — | |
| SCHEMBL13634272 | 0.74 | PDK1 (0.40) | — | |
| SCHEMBL13634335 | 0.72 | PDE10A (0.35) | — | |
| SCHEMBL13634205 | 0.70 | OGA (0.39) | — | |
| SCHEMBL13634269 | 0.69 | OGA (0.41) | — | |
| SCHEMBL15356979 | 0.68 | F2RL3 (0.43) | — |
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 |