⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7862720 | 0.84 | — | — | |
| SCHEMBL7995365 | 0.80 | PDE4B (0.33) | — | |
| SCHEMBL7863974 | 0.77 | SCN7A (0.32) | — | |
| SCHEMBL7865266 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL18808964 | 0.70 | SCN9A (0.33) | — | |
| SCHEMBL12446590 | 0.68 | LMNA (0.30) | — | |
| SCHEMBL7868189 | 0.66 | — | — | |
| SCHEMBL7863964 | 0.65 | — | — | |
| SCHEMBL8379975 | 0.65 | PDE4B (0.33) | — | |
| SCHEMBL7857559 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9416146-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2016-08-16 | — | — | US | disclosed |
| US-20150291629-A1 | Boron-Containing Small Molecules as Anti-Inflammatory Agents | ANACOR PHARMACEUTICALS, LLC | 2015-10-15 | — | — | US | disclosed |
| US-9012431-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2015-04-21 | — | — | US | disclosed |
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20120214765-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2012-08-23 | — | — | US | disclosed |