⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL178438 | 0.98 | — | — | |
| SCHEMBL30628842 | 0.80 | KCNH2 (0.43) | — | |
| SCHEMBL8342570 | 0.79 | — | — | |
| SCHEMBL10676088 | 0.76 | — | — | |
| SCHEMBL16828400 | 0.76 | — | — | |
| SCHEMBL19288358 | 0.76 | — | — | |
| SCHEMBL1273683 | 0.76 | — | — | |
| SCHEMBL5263729 | 0.76 | — | — | |
| SCHEMBL1752553 | 0.76 | — | — | |
| SCHEMBL243921 | 0.76 | — | — |
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-1261605-A1 | BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS | Darwin Discovery Limited (GB) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001058896-A1 | BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS | DARWIN DISCOVERY LIMITED (GB) | 2001-08-16 | — | — | WO | disclosed |