⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8007479 | 0.77 | PDE4B (0.52) | — | |
| SCHEMBL8010823 | 0.76 | PDE4B (0.42) | — | |
| SCHEMBL14748411 | 0.76 | AR (0.39) | — | |
| SCHEMBL8006259 | 0.74 | TTR (0.57) | — | |
| SCHEMBL19622216 | 0.73 | ACHE (0.36) | — | |
| SCHEMBL14748434 | 0.68 | PDE4A (0.50) | — | |
| SCHEMBL14748410 | 0.68 | ALDH1A1 (0.54) | — | |
| SCHEMBL5801556 | 0.66 | PDE4A (0.49) | — | |
| SCHEMBL8007094 | 0.65 | PDE4A (0.50) | — | |
| SCHEMBL8007552 | 0.65 | PDE4A (0.50) | — |
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-2009111676-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2009-09-11 | — | — | WO | disclosed |