⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18577008 | 0.84 | OR51E2 (0.35) | — | |
| SCHEMBL18898349 | 0.72 | CRBN (0.40) | — | |
| SCHEMBL20931316 | 0.67 | — | — | |
| SCHEMBL22903692 | 0.67 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL18946095 | 0.60 | INMT (0.31) | — | |
| SCHEMBL23794338 | 0.60 | — | — | |
| SCHEMBL6469847 | 0.59 | — | — | |
| SCHEMBL36587 | 0.59 | — | — | |
| SCHEMBL7295802 | 0.59 | — | — | |
| SCHEMBL969300 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2564857-A1 | Boron-containing small molecules as anti-inflammatory agents | Anacor Pharmaceuticals, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| US-20120214765-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20090291917-A1 | Boron-Containing Small Molecules as Anti-Inflammatory Agents | ANACOR PHARMACEUTICALS, INC. (US) | 2009-11-26 | — | — | US | disclosed |