⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20151675 | 0.73 | — | — | |
| SCHEMBL1666517 | 0.63 | CYP19A1 (0.32) | — | |
| SCHEMBL1665923 | 0.59 | — | — | |
| SCHEMBL7511344 | 0.55 | ALOX5 (0.35) | — | |
| SCHEMBL4277383 | 0.54 | ALOX5 (0.33) | — | |
| SCHEMBL9140299 | 0.54 | — | — | |
| SCHEMBL15464308 | 0.54 | — | — | |
| SCHEMBL15315883 | 0.54 | ALOX5 (0.33) | — | |
| SCHEMBL1666427 | 0.53 | CYP19A1 (0.32) | — | |
| SCHEMBL12354405 | 0.53 | CYP19A1 (0.32) | — |
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 5 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 |
| 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 |
| US-9085587-B2 | Inhibitors of hepatitis C virus | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-07-21 | — | — | US | disclosed |