⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3729652 | 0.75 | HDAC4 (0.33) | — | |
| SCHEMBL9663013 | 0.75 | HTR2A (0.31) | — | |
| SCHEMBL9436076 | 0.75 | OXTR (0.30) | — | |
| SCHEMBL3209428 | 0.72 | HDAC4 (0.31) | — | |
| SCHEMBL31693139 | 0.72 | — | — | |
| SCHEMBL2800949 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL31186268 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL11696235 | 0.71 | POLB (0.30) | — | |
| SCHEMBL8489491 | 0.70 | THRB (0.35) | — | |
| SCHEMBL30897428 | 0.70 | GAA (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| EP-2066789-A2 | CRYSTAL STRUCTURE OF A TRNA SYNTHETASE | Anacor Pharmaceuticals, Inc. (US) | 2009-06-10 | — | — | EP | disclosed |
| EP-2044091-A2 | COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE | Anacor Pharmaceuticals, Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| EP-2015757-A2 | HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE | Anacor Pharmaceuticals, Inc. (US) | 2009-01-21 | — | — | EP | disclosed |
| WO-2008070257-A9 | CRYSTAL STRUCTURE OF A TRNA SYNTHETASE | ANACOR PHARMACEUTICALS INC (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2008070257-A2 | CRYSTAL STRUCTURE OF A TRNA SYNTHETASE | ANACOR PHARMACEUTICALS, INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2007146965-A2 | COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE | ANACOR PHARMACEUTICALS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |
| US-20070286822-A1 | Compounds for the Treatment of Periodontal Disease | ANACOR PHARMACEUTICALS INC. (US) | 2007-12-13 | — | — | US | disclosed |
| WO-2007131072-A2 | HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE | ANACOR PHARMACEUTICALS, INC. (US) | 2007-11-15 | — | — | WO | disclosed |
| US-20070265226-A1 | Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use | ANACOR PHARMACEUTICALS (US) | 2007-11-15 | — | — | US | disclosed |