⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12572682 | 1.00 | — | — | |
| SCHEMBL822962 | 0.78 | — | — | |
| SCHEMBL62213 | 0.78 | — | — | |
| SCHEMBL62212 | 0.78 | — | — | |
| SCHEMBL273328 | 0.77 | — | — | |
| SCHEMBL14225485 | 0.77 | HCAR2 (0.53) | — | |
| SCHEMBL5827483 | 0.74 | — | — | |
| SCHEMBL7849752 | 0.74 | — | — | |
| SCHEMBL8822877 | 0.74 | — | — | |
| SCHEMBL5729885 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113999227-A | Preparation method of palbociclib intermediate | 常州大学 | 2022-02-01 | — | — | CN | disclosed |
| US-7473797-B2 | Methods of 1,3-enyne preparation using copper (I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |
| US-7473797-B2 | Methods of 1,3-enyne preparation using copper (I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |
| US-7473797-B2 | Methods of 1,3-enyne preparation using copper (I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |
| US-20050255575-A1 | Methods of 1,3-enyne preparation using copper (I) catalysts | NATIONAL SCIENCE FOUNDATION | 2005-11-17 | — | — | US | disclosed |