⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9620791 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL13343422 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL14028836 | 0.63 | — | — | |
| SCHEMBL14515526 | 0.57 | — | — | |
| SCHEMBL20169010 | 0.57 | — | — | |
| SCHEMBL7941245 | 0.57 | ACHE (0.30) | — | |
| SCHEMBL15850803 | 0.57 | — | — | |
| SCHEMBL794147 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL145251 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL145249 | 0.57 | ALDH1A1 (0.32) | — |
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-7714167-B2 | Catalytic asymmetric epoxidation | UNIVERSITY OF CHICAGO (US) | 2010-05-11 | — | — | US | disclosed |
| US-20070203347-A1 | Catalytic asymmetric epoxidation | THE UNIVERSITY OF CHICAGO (US) | 2007-08-30 | — | — | US | disclosed |
| US-7202371-B2 | Catalytic asymmetric epoxidation | THE UNIVERSITY OF CHICAGO (US) | 2007-04-10 | — | — | US | disclosed |