⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3587378 | 0.61 | — | — | |
| SCHEMBL443757 | 0.53 | — | — | |
| SCHEMBL19638713 | 0.49 | — | — | |
| SCHEMBL676625 | 0.46 | — | — | |
| SCHEMBL3117258 | 0.46 | — | — | |
| SCHEMBL5891189 | 0.45 | — | — | |
| SCHEMBL4645948 | 0.43 | — | — | |
| SCHEMBL30199676 | 0.41 | — | — | |
| SCHEMBL3421955 | 0.41 | — | — | |
| SCHEMBL15987161 | 0.41 | — | — |
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-2619184-B1 | DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME | UNIV MICHIGAN REGENTS (US) | 2018-05-23 | — | — | EP | disclosed |
| US-8309543-B2 | Compositions useful as inhibitors of voltage-gated sodium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-13 | — | — | US | disclosed |