⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5164617 | 0.69 | — | — | |
| SCHEMBL5162205 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL2955326 | 0.69 | — | — | |
| SCHEMBL2561638 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11641809 | 0.69 | — | — | |
| Acetone SCHEMBL8780130 | 0.67 | LMNA (0.40) | — | |
| Acetone SCHEMBL7722945 | 0.67 | LMNA (0.40) | — | |
| SCHEMBL8676701 | 0.67 | — | — | |
| SCHEMBL9713097 | 0.67 | TSHR (0.33) | — | |
| Acetic Acid SCHEMBL9779003 | 0.65 | FFAR3 (0.44) | — |
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-0485614-B1 | CYCLODEXTRIN DERIVATIVE | TOPPAN PRINTING CO LTD (JP) | 1997-08-13 | — | — | EP | disclosed |