⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3912069 | 1.00 | — | — | |
| SCHEMBL3956183 | 0.82 | — | — | |
| SCHEMBL15699742 | 0.82 | — | — | |
| SCHEMBL14503024 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL14503023 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL19668472 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL1495363 | 0.77 | — | — | |
| SCHEMBL666609 | 0.77 | — | — | |
| SCHEMBL26606264 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL5162604 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9133488-B2 | Synthetic methods and compounds related thereto | UNIVERSITY OF ALASKA FAIRBANKS (US) | 2015-09-15 | — | — | US | disclosed |
| US-20150184206-A1 | SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO | UNIVERSITY OF ALASKA FAIRBANKS | 2015-07-02 | — | — | US | disclosed |
| US-6919456-B2 | Catalytic compositions and methods for asymmetric aldol reactions | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2005-07-19 | — | — | US | disclosed |
| EP-1409122-A2 | CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2004-04-21 | — | — | EP | disclosed |
| US-20040019239-A1 | Catalytic compositions and methods for asymmetric aldol reactions | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-01-29 | — | — | US | disclosed |
| US-6610889-B2 | Using organometallic complex catalyst | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2003-08-26 | — | — | US | disclosed |
| US-20020147367-A1 | Catalytic compositions and methods for asymmetric aldol reactions | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-10-10 | — | — | US | disclosed |
| WO-2002041984-A2 | CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2002-05-30 | — | — | WO | disclosed |