⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1049447 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL138082 | 0.75 | EPHX1 (0.41) | — | |
| Acrylamide SCHEMBL21485100 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL13504152 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL9242168 | 0.73 | EPHX1 (0.39) | — | |
| Dimethylamine SCHEMBL27557791 | 0.71 | EPHX1 (0.38) | — | |
| Methacrylic Acid SCHEMBL3265200 | 0.69 | ALDH1A1 (0.39) | — | |
| Methacrylic Acid SCHEMBL30438082 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL13237410 | 0.69 | LMNA (0.39) | — | |
| SCHEMBL22921 | 0.69 | — | — |
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-20100036041-A1 | MOLDING MATERIALS COMPRISING HIGHLY CROSSLINKED ORGANIC NANOPARTICLES | BASF SE (DE) | 2010-02-11 | — | — | US | disclosed |