⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9860551 | 0.90 | EP300 (0.50) | — | |
| SCHEMBL9860547 | 0.90 | EP300 (0.50) | — | |
| SCHEMBL16970285 | 0.80 | — | — | |
| SCHEMBL16970193 | 0.78 | — | — | |
| SCHEMBL16970197 | 0.78 | — | — | |
| SCHEMBL957232 | 0.77 | — | — | |
| SCHEMBL57502 | 0.77 | — | — | |
| SCHEMBL4135829 | 0.74 | — | — | |
| SCHEMBL22575597 | 0.74 | — | — | |
| SCHEMBL7549441 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9284270-B2 | Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids | THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) | 2016-03-15 | — | — | US | disclosed |
| US-20140142322-A1 | Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids | GREENCENTRE CANADA (CA) | 2014-05-22 | — | — | US | disclosed |