Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Epetraborole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Epetraborole SCHEMBL31673512 | 1.00 | — | — | |
| Epetraborole SCHEMBL29378846 | 1.00 | — | — | |
| Epetraborole SCHEMBL1498692 | 1.00 | — | — | |
| Epetraborole SCHEMBL1895215 | 1.00 | — | — | |
| Epetraborole SCHEMBL3447124 | 0.99 | — | — | |
| Epetraborole SCHEMBL1980656 | 0.99 | — | — | |
| SCHEMBL3640943 | 0.96 | — | — | |
| SCHEMBL13035381 | 0.91 | — | — | |
| SCHEMBL13035106 | 0.91 | — | — | |
| SCHEMBL3445790 | 0.90 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180016285-A1 | Boron-Containing Small Molecules | ANACOR PHARMACEUTICALS, LLC | 2018-01-18 | — | — | US | disclosed |
| US-20180016285-A1 | Boron-Containing Small Molecules | ANACOR PHARMACEUTICALS, LLC | 2018-01-18 | — | — | US | disclosed |
| EP-2164331-B1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS INC (US) | 2017-11-29 | — | — | EP | disclosed |
| EP-2164331-B1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS INC (US) | 2017-11-29 | — | — | EP | disclosed |
| US-9796735-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-9796735-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20150133402-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, LLC | 2015-05-14 | — | — | US | disclosed |
| US-20150133402-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, LLC | 2015-05-14 | — | — | US | disclosed |
| US-20150133402-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, LLC | 2015-05-14 | — | — | US | disclosed |
| US-8895534-B2 | Boron containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2014-11-25 | — | — | US | disclosed |
| US-20100292504-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100292504-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100292504-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| US-7816344-B2 | oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics | ANACOR PHARMACEUTICALS, INC. (US) | 2010-10-19 | — | — | US | disclosed |
| US-7816344-B2 | oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics | ANACOR PHARMACEUTICALS, INC. (US) | 2010-10-19 | — | — | US | disclosed |
| US-7816344-B2 | oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics | ANACOR PHARMACEUTICALS, INC. (US) | 2010-10-19 | — | — | US | disclosed |
| US-20090227541-A1 | oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics | ANACOR PHARMACEUTICALS, INC. (US) | 2009-09-10 | — | — | US | disclosed |
| US-20090227541-A1 | oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics | ANACOR PHARMACEUTICALS, INC. (US) | 2009-09-10 | — | — | US | disclosed |
| US-20090227541-A1 | oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics | ANACOR PHARMACEUTICALS, INC. (US) | 2009-09-10 | — | — | US | disclosed |
| WO-2008157726-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |