⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2679898 | 0.99 | — | — | |
| SCHEMBL469427 | 0.86 | — | — | |
| SCHEMBL22847935 | 0.85 | — | — | |
| SCHEMBL460284 | 0.84 | LARS1 (0.60) | — | |
| SCHEMBL462522 | 0.83 | — | — | |
| Epetraborole SCHEMBL29378846 | 0.79 | — | — | |
| Epetraborole SCHEMBL3446407 | 0.79 | — | — | |
| Epetraborole SCHEMBL1895215 | 0.79 | — | — | |
| Epetraborole SCHEMBL31673512 | 0.79 | — | — | |
| Epetraborole SCHEMBL1498692 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170355719-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. | 2017-12-14 | — | — | US | disclosed |
| US-9751898-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20140315860-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2014-10-23 | — | — | US | disclosed |
| US-20120115813-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |