⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2284500 | 0.61 | — | — | |
| SCHEMBL16911713 | 0.61 | — | — | |
| SCHEMBL2748168 | 0.59 | — | — | |
| SCHEMBL8885767 | 0.58 | — | — | |
| SCHEMBL2583873 | 0.57 | — | — | |
| SCHEMBL16975275 | 0.53 | — | — | |
| SCHEMBL455421 | 0.50 | — | — | |
| SCHEMBL11834 | 0.50 | — | — | |
| SCHEMBL8601412 | 0.49 | TSHR (0.33) | — | |
| SCHEMBL7009257 | 0.48 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180244699-A1 | 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-08-30 | — | — | US | disclosed |
| EP-3337809-A1 | 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017029289-A1 | 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-02-23 | — | — | WO | disclosed |
| US-20050124614-A1 | 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-09 | — | — | US | disclosed |
| WO-2004004727-A1 | 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-15 | — | — | WO | disclosed |