⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15866001 | 0.78 | — | — | |
| SCHEMBL9945282 | 0.76 | — | — | |
| SCHEMBL28176108 | 0.76 | — | — | |
| SCHEMBL18755564 | 0.74 | — | — | |
| SCHEMBL9944284 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL20857541 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL223785 | 0.67 | — | — | |
| SCHEMBL13431422 | 0.66 | — | — | |
| SCHEMBL5207983 | 0.66 | — | — | |
| SCHEMBL13329967 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149707-A1 | ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | OSCOTEC INC. (KR) | 2012-06-14 | — | — | US | disclosed |