⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682505 | 0.81 | — | — | |
| SCHEMBL9588518 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL9588592 | 0.71 | — | — | |
| SCHEMBL1471767 | 0.69 | — | — | |
| SCHEMBL17187646 | 0.69 | — | — | |
| SCHEMBL9589158 | 0.63 | — | — | |
| SCHEMBL19601263 | 0.62 | — | — | |
| SCHEMBL13185878 | 0.61 | — | — | |
| SCHEMBL5935508 | 0.59 | — | — | |
| SCHEMBL1486006 | 0.59 | — | — |
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-7632973-B2 | Methods for preparing aldehydes by self-aldol condensation | LOYOLA UNIVERSITY OF CHICAGO (US) | 2009-12-15 | — | — | US | disclosed |
| US-7632973-B2 | Methods for preparing aldehydes by self-aldol condensation | LOYOLA UNIVERSITY OF CHICAGO (US) | 2009-12-15 | — | — | US | disclosed |
| WO-2009131966-A1 | METHODS FOR PREPARING ALDEHYDES BY SELF-ALDOL CONDENSATION | LOYOLA UNIVERSITY OF CHICAGO (US) | 2009-10-29 | — | — | WO | disclosed |
| US-20090270658-A1 | Methods for preparing aldehydes by self-aldol condensation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-10-29 | — | — | US | disclosed |
| US-20090270658-A1 | Methods for preparing aldehydes by self-aldol condensation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-10-29 | — | — | US | disclosed |