⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19212830 | 1.00 | — | — | |
| SCHEMBL19212672 | 1.00 | — | — | |
| SCHEMBL19212674 | 1.00 | — | — | |
| SCHEMBL19212829 | 0.79 | GAA (0.48) | — | |
| SCHEMBL16963625 | 0.76 | AKR1C3 (0.35) | — | |
| SCHEMBL30971849 | 0.71 | — | — | |
| SCHEMBL18824490 | 0.71 | — | — | |
| SCHEMBL15970550 | 0.69 | POLB (0.41) | — | |
| SCHEMBL5007222 | 0.69 | POLB (0.41) | — | |
| SCHEMBL468523 | 0.69 | TFPI2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3413976-A1 | HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS | Redx Pharma PLC (GB) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017137744-A1 | HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS | REDX PHARMA PLC (GB) | 2017-08-17 | — | — | WO | disclosed |