⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12346113 | 0.74 | — | — | |
| SCHEMBL16475259 | 0.72 | — | — | |
| SCHEMBL12354411 | 0.70 | — | — | |
| SCHEMBL12354406 | 0.69 | — | — | |
| SCHEMBL12354404 | 0.65 | — | — | |
| SCHEMBL12346172 | 0.65 | — | — | |
| SCHEMBL20151690 | 0.62 | — | — | |
| SCHEMBL12354278 | 0.61 | — | — | |
| SCHEMBL28206738 | 0.58 | ALDH1A1 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28222638 | 0.57 | ALDH1A1 (0.39) | — |
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 6 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-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 |
| 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 |
| 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 |
| WO-2016168450-A1 | ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2016-10-20 | — | — | WO | disclosed |