⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4452438 | 1.00 | — | — | |
| SCHEMBL4452444 | 1.00 | — | — | |
| SCHEMBL23874619 | 0.79 | — | — | |
| SCHEMBL17629461 | 0.79 | — | — | |
| SCHEMBL15304336 | 0.79 | — | — | |
| SCHEMBL10243182 | 0.76 | — | — | |
| SCHEMBL10248853 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL16766681 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL16765705 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL11151810 | 0.73 | ALDH1A1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090326282-A1 | PROCESS FOR THE MANUFACTURE OF BICYCLIC MOLECULES BY COPPER-CATALYSED PHOTOCHEMICAL CYCLISATION | SALTIGO GMBH (DE) | 2009-12-31 | — | — | US | disclosed |
| EP-1877357-A1 | PROCESS FOR THE MANUFACTURE OF BICYCLIC MOLECULES BY COPPER-CATALYSED PHOTOCHEMICAL CYCLISATION | Pfizer Limited (GB) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006114708-A1 | PROCESS FOR THE MANUFACTURE OF BICYCLIC MOLECULES BY COPPER-CATALYSED PHOTOCHEMICAL CYCLISATION | SALTIGO GMBH (DE) | 2006-11-02 | — | — | WO | disclosed |