⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441317 | 0.92 | — | — | |
| SCHEMBL12316571 | 0.92 | — | — | |
| SCHEMBL10494403 | 0.90 | — | — | |
| SCHEMBL11264461 | 0.90 | — | — | |
| SCHEMBL8679591 | 0.80 | — | — | |
| SCHEMBL29954359 | 0.76 | — | — | |
| Malonaldehyde SCHEMBL8113991 | 0.76 | ALDH1A1 (0.30) | — | |
| Propionaldehyde SCHEMBL1412137 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL2075451 | 0.74 | — | — | |
| SCHEMBL215145 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999032499-A1 | 4'-O-DEMETHYL-EPIPODOPHYLLOTOXIN-β-D-GLUCOSIDE ACETAL DERIVATIVES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1999-07-01 | — | — | WO | disclosed |