⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4564219 | 0.78 | — | — | |
| SCHEMBL18434989 | 0.78 | — | — | |
| SCHEMBL16878868 | 0.71 | — | — | |
| SCHEMBL8445952 | 0.70 | — | — | |
| SCHEMBL8405168 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL10658239 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL13935215 | 0.63 | CYP19A1 (0.31) | — | |
| SCHEMBL15824288 | 0.63 | CHRM2 (0.33) | — | |
| SCHEMBL23181766 | 0.62 | CHRM2 (0.31) | — | |
| SCHEMBL14191696 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1021426-A4 | CATALYTIC ASYMMETRIC EPOXIDATION | UNIV COLORADO STATE RES FOUND (US) | 2000-07-26 | — | — | EP | disclosed |
| EP-1021426-A1 | CATALYTIC ASYMMETRIC EPOXIDATION | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1998015544-A1 | CATALYTIC ASYMMETRIC EPOXIDATION | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1998-04-16 | — | — | WO | disclosed |