⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23457284 | 0.82 | — | — | |
| SCHEMBL24600847 | 0.82 | APLNR (0.32) | — | |
| SCHEMBL19068069 | 0.82 | APLNR (0.32) | — | |
| SCHEMBL20091101 | 0.77 | TYMP (0.32) | — | |
| SCHEMBL20091114 | 0.76 | — | — | |
| SCHEMBL20086553 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL10020527 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL7702027 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL29951770 | 0.72 | — | — | |
| SCHEMBL570241 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016179343-A1 | DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE | LYCERA CORPORATION (US) | 2016-11-10 | — | — | WO | disclosed |