⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19957485 | 0.86 | NOS2 (0.37) | — | |
| SCHEMBL17885698 | 0.84 | NOS2 (0.35) | — | |
| SCHEMBL24313644 | 0.75 | — | — | |
| SCHEMBL4194222 | 0.75 | — | — | |
| SCHEMBL6278869 | 0.75 | — | — | |
| SCHEMBL3118447 | 0.75 | — | — | |
| SCHEMBL467970 | 0.74 | — | — | |
| SCHEMBL9629638 | 0.72 | NOS2 (0.33) | — | |
| SCHEMBL8132439 | 0.72 | CHRNB2 (0.43) | — | |
| SCHEMBL10787669 | 0.70 | — | — |
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 |