⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4109549 | 1.00 | — | — | |
| SCHEMBL4109548 | 1.00 | — | — | |
| SCHEMBL11981275 | 1.00 | — | — | |
| SCHEMBL4109556 | 1.00 | — | — | |
| SCHEMBL4123342 | 0.75 | GAPDH (0.46) | — | |
| SCHEMBL4123346 | 0.75 | GAPDH (0.46) | — | |
| SCHEMBL11960046 | 0.75 | GAPDH (0.46) | — | |
| SCHEMBL500324 | 0.72 | — | — | |
| SCHEMBL500323 | 0.72 | — | — | |
| SCHEMBL11547948 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236976-B2 | Processes for highly enantio- and diastereoselective synthesis of acyclic epoxy alcohols and allylic epoxy alcohols | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-08-07 | — | — | US | disclosed |
| US-20090163728-A1 | Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-06-25 | — | — | US | disclosed |