⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13748543 | 0.67 | — | — | |
| SCHEMBL16693628 | 0.64 | — | — | |
| SCHEMBL3462371 | 0.64 | — | — | |
| SCHEMBL11946722 | 0.64 | — | — | |
| SCHEMBL15368848 | 0.64 | — | — | |
| SCHEMBL6868423 | 0.61 | — | — | |
| Crotonic Acid SCHEMBL167626 | 0.61 | TSHR (0.57) | — | |
| SCHEMBL21049241 | 0.61 | — | — | |
| Crotonic Acid SCHEMBL28429 | 0.61 | — | — | |
| Crotonic Acid SCHEMBL22034 | 0.61 | — | — |
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-7534905-B2 | Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-05-19 | — | — | US | disclosed |
| EP-1480988-A4 | REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS | UNIV COLUMBIA (US) | 2006-03-29 | — | — | EP | disclosed |
| US-20050288525-A1 | Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-12-29 | — | — | US | disclosed |
| EP-1480988-A1 | REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS | The Trustees of Columbia University in the City of New York (US) | 2004-12-01 | — | — | EP | disclosed |
| WO-2003074534-A1 | REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2003-09-12 | — | — | WO | disclosed |