⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL508764 | 1.00 | — | — | |
| SCHEMBL5852448 | 0.93 | — | — | |
| SCHEMBL5852401 | 0.86 | — | — | |
| SCHEMBL10986146 | 0.71 | — | — | |
| SCHEMBL9419820 | 0.70 | — | — | |
| SCHEMBL24351771 | 0.67 | — | — | |
| SCHEMBL14438964 | 0.67 | — | — | |
| SCHEMBL7100615 | 0.67 | — | — | |
| SCHEMBL1691551 | 0.67 | — | — | |
| SCHEMBL17764651 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6686483-B2 | REACTING AN OXIDIZER WITH AN OLEFIN IN PRESENCE OF KETONE | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION | 2004-02-03 | — | — | US | disclosed |
| EP-1021426-B1 | CATALYTIC ASYMMETRIC EPOXIDATION | UNIV COLORADO STATE RES FOUND (US) | 2003-09-17 | — | — | EP | disclosed |
| US-20020133031-A1 | Catalytic asymmetric epoxidation | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2002-09-19 | — | — | US | disclosed |
| US-6348608-B1 | ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION | 2002-02-19 | — | — | US | disclosed |