⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14877799 | 0.80 | — | — | |
| SCHEMBL5021620 | 0.78 | — | — | |
| SCHEMBL621075 | 0.78 | — | — | |
| SCHEMBL3465791 | 0.78 | — | — | |
| SCHEMBL29698579 | 0.77 | PIK3C2A (0.35) | — | |
| SCHEMBL16841704 | 0.76 | — | — | |
| SCHEMBL6578326 | 0.76 | — | — | |
| SCHEMBL6853986 | 0.76 | — | — | |
| SCHEMBL12949585 | 0.76 | POLB (0.31) | — | |
| SCHEMBL31581649 | 0.75 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3307738-B1 | ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE | UNIV MICHIGAN REGENTS (US) | 2022-04-20 | — | — | EP | disclosed |