⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15314940 | 0.66 | — | — | |
| SCHEMBL20151690 | 0.61 | — | — | |
| SCHEMBL12346113 | 0.59 | — | — | |
| SCHEMBL28263350 | 0.55 | — | — | |
| SCHEMBL15315871 | 0.54 | — | — | |
| SCHEMBL12346098 | 0.50 | — | — | |
| Benzoquinone SCHEMBL28206737 | 0.49 | ALDH1A1 (0.42) | — | |
| SCHEMBL12354410 | 0.49 | — | — | |
| SCHEMBL21981672 | 0.47 | — | — | |
| SCHEMBL744228 | 0.46 | TP53 (0.36) | — |
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-10233146-B2 | Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2019-03-19 | — | — | US | disclosed |
| US-20180134654-A1 | ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2018-05-17 | — | — | US | disclosed |