⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2258251 | 1.00 | — | — | |
| SCHEMBL5656458 | 1.00 | — | — | |
| SCHEMBL2808868 | 0.79 | — | — | |
| SCHEMBL2808870 | 0.79 | — | — | |
| SCHEMBL14952925 | 0.76 | PTGS1 (0.39) | — | |
| SCHEMBL14952926 | 0.76 | PTGS1 (0.39) | — | |
| SCHEMBL1396002 | 0.74 | FFAR3 (0.43) | — | |
| SCHEMBL18814 | 0.74 | — | — | |
| SCHEMBL1900173 | 0.74 | PTGS1 (0.55) | — | |
| SCHEMBL3791596 | 0.74 | PTGS1 (0.55) | — |
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-7473797-B2 | Methods of 1,3-enyne preparation using copper (I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |
| EP-1745006-A4 | METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS | UNIV MASSACHUSETTS (US) | 2008-04-23 | — | — | EP | disclosed |
| EP-1745006-A2 | METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS | University of Massachusetts (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005116198-A2 | METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS | UNIVERSITY OF MASSACHUSETTS (US) | 2005-12-08 | — | — | WO | disclosed |
| US-20050255575-A1 | Methods of 1,3-enyne preparation using copper (I) catalysts | NATIONAL SCIENCE FOUNDATION | 2005-11-17 | — | — | US | disclosed |