⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6202267 | 0.95 | — | — | |
| SCHEMBL4419787 | 0.67 | — | — | |
| SCHEMBL7049693 | 0.65 | — | — | |
| SCHEMBL11297318 | 0.65 | — | — | |
| SCHEMBL1902195 | 0.65 | — | — | |
| SCHEMBL9333338 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL6438393 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL3582419 | 0.62 | — | — | |
| SCHEMBL9987289 | 0.60 | — | — | |
| SCHEMBL943110 | 0.57 | GSK3A (0.46) | — |
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-0109299-A2 | 1,1-Disubstituted-2-heterocyclic ethanol derivatives | ELI LILLY AND COMPANY (US) | 1984-05-23 | — | — | EP | disclosed |