⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL476859 | 0.97 | ABL1 (0.30) | — | |
| SCHEMBL13082626 | 0.82 | — | — | |
| SCHEMBL1141653 | 0.80 | FGFR1 (0.32) | — | |
| SCHEMBL1141555 | 0.79 | ABL1 (0.31) | — | |
| SCHEMBL11913010 | 0.79 | ABL1 (0.32) | — | |
| SCHEMBL29205152 | 0.79 | ABL1 (0.30) | — | |
| SCHEMBL31178628 | 0.77 | CYP4F2 (0.30) | — | |
| SCHEMBL27165318 | 0.77 | ABL1 (0.30) | — | |
| SCHEMBL1141583 | 0.76 | DGAT1 (0.34) | — | |
| SCHEMBL476823 | 0.75 | HPGD (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411398-B1 | METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-8785651-B2 | Method for manufacturing a boronic acid ester compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-07-22 | — | — | US | disclosed |
| US-20120123122-A1 | METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND | GENENTECH, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| EP-2411398-A1 | METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2012-02-01 | — | — | EP | disclosed |