⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2466483 | 0.74 | — | — | |
| SCHEMBL8590212 | 0.74 | — | — | |
| SCHEMBL3480456 | 0.74 | — | — | |
| SCHEMBL8337731 | 0.74 | — | — | |
| SCHEMBL10835752 | 0.73 | — | — | |
| Bromide SCHEMBL27886559 | 0.73 | HSD11B1 (0.34) | — | |
| SCHEMBL19140843 | 0.73 | — | — | |
| SCHEMBL5386968 | 0.73 | — | — | |
| Methylamine SCHEMBL28237461 | 0.73 | CYP3A4 (0.37) | — | |
| SCHEMBL22928577 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0454446-A1 | Thermosettable compositions containing alkoxylated aromatic compounds | ARCO Chemical Technology, L.P. (US) | 1991-10-30 | — | — | EP | disclosed |