⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16621491 | 0.91 | — | — | |
| SCHEMBL15314940 | 0.85 | — | — | |
| SCHEMBL15315871 | 0.84 | — | — | |
| SCHEMBL12346113 | 0.81 | — | — | |
| SCHEMBL18166124 | 0.72 | — | — | |
| SCHEMBL12354109 | 0.71 | — | — | |
| SCHEMBL12346074 | 0.68 | — | — | |
| SCHEMBL12346158 | 0.68 | — | — | |
| SCHEMBL18166135 | 0.66 | — | — | |
| SCHEMBL12346098 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9000188-B2 | Monocyclic cyanoenones and methods of use thereof | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2015-04-07 | — | — | US | disclosed |
| EP-2309860-B1 | MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF | DARTMOUTH COLLEGE (US) | 2014-01-08 | — | — | EP | disclosed |