⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL506038 | 1.00 | PAOX (0.59) | — | |
| SCHEMBL28338247 | 1.00 | PAOX (0.59) | — | |
| SCHEMBL2525606 | 1.00 | PAOX (0.59) | — | |
| SCHEMBL96499 | 0.97 | — | — | |
| SCHEMBL94975 | 0.88 | — | — | |
| SCHEMBL11375880 | 0.87 | PAOX (0.72) | — | |
| SCHEMBL14725979 | 0.87 | PAOX (0.72) | — | |
| SCHEMBL2775487 | 0.87 | PAOX (0.72) | — | |
| SCHEMBL12686704 | 0.87 | PAOX (0.72) | — | |
| SCHEMBL21818217 | 0.87 | PAOX (0.72) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| WO-2012006038-A2 | AGENTS AND COMPOUNDS FOR IMAGING AND OTHER APPLICATIONS, AND METHODS OF USE AND SYNTHESIS THEREOF | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-01-12 | — | — | WO | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| EP-0835248-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | WO | disclosed |