⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9580055 | 0.69 | — | — | |
| SCHEMBL5080176 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL8370820 | 0.62 | — | — | |
| SCHEMBL339003 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL2697928 | 0.58 | — | — | |
| SCHEMBL12985568 | 0.57 | — | — | |
| SCHEMBL9616050 | 0.54 | — | — | |
| SCHEMBL12377773 | 0.45 | — | — | |
| SCHEMBL18043469 | 0.45 | — | — | |
| SCHEMBL9934744 | 0.42 | — | — |
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-0729498-B1 | CHIRAL NEMATIC LIQUID CRYSTALLINE COMPOSITIONS | UNIV ROCHESTER (US) | 2001-07-25 | — | — | EP | disclosed |