⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1002431 | 1.00 | — | — | |
| SCHEMBL1002430 | 1.00 | — | — | |
| SCHEMBL514050 | 0.92 | — | — | |
| SCHEMBL514860 | 0.92 | — | — | |
| SCHEMBL514049 | 0.92 | — | — | |
| SCHEMBL14925210 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL2564856 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL22294661 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL20847794 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL11896000 | 0.90 | TSHR (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289827-A1 | FUSED RING DERIVATIVES CONTAINING 1,4-OXAZEPANE | Medshine Discovery Inc. (CN) | 2023-12-13 | — | — | EP | disclosed |
| EP-2997026-B1 | SUBSTITUTED ISOXAZOLE DERIVATIVES | BASF SE (DE) | 2017-03-15 | — | — | EP | disclosed |
| WO-2014184236-A1 | SUBSTITUTED ISOXAZOLE DERIVATIVES | BASF SE (DE) | 2014-11-20 | — | — | WO | disclosed |