⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14218442 | 0.77 | — | — | |
| SCHEMBL17323240 | 0.74 | TRPA1 (0.32) | — | |
| SCHEMBL18726715 | 0.73 | — | — | |
| SCHEMBL14479840 | 0.73 | — | — | |
| SCHEMBL18362347 | 0.72 | CES2 (0.30) | — | |
| SCHEMBL5552545 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL12243407 | 0.70 | — | — | |
| SCHEMBL13427847 | 0.69 | — | — | |
| SCHEMBL15833747 | 0.68 | — | — | |
| SCHEMBL13093622 | 0.68 | CA5A (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10858376-B2 | Tricyclic benzoxaborole compounds and uses thereof | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2020-12-08 | — | — | US | disclosed |