⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8272936 | 0.80 | — | — | |
| SCHEMBL12847430 | 0.79 | — | — | |
| SCHEMBL20733706 | 0.76 | PRKCE (0.34) | — | |
| SCHEMBL3655950 | 0.75 | — | — | |
| SCHEMBL9769293 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL18913444 | 0.71 | — | — | |
| SCHEMBL19759438 | 0.71 | — | — | |
| SCHEMBL15703076 | 0.70 | LOX (0.33) | — | |
| SCHEMBL11457512 | 0.70 | DAO (0.41) | — | |
| SCHEMBL2097287 | 0.69 | — | — |
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-2343286-A1 | Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase | Methylgene, Inc. (CA) | 2011-07-13 | — | — | EP | disclosed |