⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4115393 | 1.00 | — | — | |
| SCHEMBL27493138 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL28455194 | 0.77 | — | — | |
| SCHEMBL9796856 | 0.77 | — | — | |
| SCHEMBL8723394 | 0.76 | — | — | |
| SCHEMBL1849267 | 0.75 | — | — | |
| SCHEMBL7635589 | 0.75 | — | — | |
| SCHEMBL795270 | 0.73 | KMT2A (0.54) | — | |
| SCHEMBL16359707 | 0.73 | KMT2A (0.54) | — | |
| SCHEMBL795271 | 0.73 | KMT2A (0.54) | — |
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-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 |
| WO-2005087755-A1 | PROCESSES FOR HIGHLY ENANTIO-AND DIASTEREOSELECTIVE SYNTHESIS OF ACYCLIC EPOXY ALCOHOLS AND ALLYLIC EPOXY ALCOHOLS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2005-09-22 | — | — | WO | disclosed |