⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9017283 | 1.00 | — | — | |
| SCHEMBL7750950 | 1.00 | — | — | |
| SCHEMBL31312889 | 0.93 | — | — | |
| SCHEMBL8424907 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL6979309 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL7750893 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL6972955 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL6979131 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL7754439 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL29817207 | 0.86 | ALDH1A1 (0.32) | — |
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-0792255-B1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING & MFG (US) | 2001-02-28 | — | — | EP | disclosed |