⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18023946 | 1.00 | — | — | |
| SCHEMBL2680122 | 0.94 | — | — | |
| SCHEMBL19844411 | 0.87 | — | — | |
| SCHEMBL19844420 | 0.87 | — | — | |
| SCHEMBL453410 | 0.86 | LARS1 (0.73) | — | |
| SCHEMBL453354 | 0.86 | LARS1 (0.73) | — | |
| SCHEMBL469428 | 0.86 | LARS1 (0.73) | — | |
| Trifluoroacetic Acid SCHEMBL19690261 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL2678804 | 0.85 | LARS1 (0.73) | — | |
| SCHEMBL18023441 | 0.85 | — | — |
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-20180037595-A1 | BENZOXABOROLE COMPOUNDS AND USES THEREOF | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2018-02-08 | — | — | US | disclosed |
| WO-2016128949-A1 | BENZOXABOROLE COMPOUNDS AND USES THEREOF | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-08-18 | — | — | WO | disclosed |