⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10186699 | 0.86 | PDE4A (0.41) | — | |
| SCHEMBL10186641 | 0.85 | PDE4B (0.41) | — | |
| SCHEMBL10186628 | 0.81 | PDE4A (0.31) | — | |
| SCHEMBL10186624 | 0.80 | — | — | |
| SCHEMBL11993027 | 0.80 | PDE4A (0.38) | — | |
| SCHEMBL10186625 | 0.79 | — | — | |
| SCHEMBL10186760 | 0.78 | ROCK2 (0.40) | — | |
| SCHEMBL10186783 | 0.76 | — | — | |
| SCHEMBL10186779 | 0.76 | — | — | |
| SCHEMBL10186627 | 0.75 | PDE4B (0.38) | — |
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-9499570-B2 | Boron containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2016-11-22 | — | — | US | disclosed |
| US-20150376210-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, LLC | 2015-12-31 | — | — | US | disclosed |
| US-9145429-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2015-09-29 | — | — | US | disclosed |
| US-20140200198-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2014-07-17 | — | — | US | disclosed |
| US-8716478-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2014-05-06 | — | — | US | disclosed |
| US-20120035132-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2012-02-09 | — | — | US | disclosed |