⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1851 | 0.83 | — | — | |
| SCHEMBL5210 | 0.78 | — | — | |
| Methylamine SCHEMBL27546260 | 0.75 | ALDH1A1 (0.33) | — | |
| Acetic Acid SCHEMBL1931483 | 0.74 | — | — | |
| SCHEMBL27305442 | 0.69 | — | — | |
| Isopropyl Alcohol SCHEMBL6889510 | 0.69 | — | — | |
| Hydrogen Peroxide SCHEMBL28137077 | 0.61 | — | — | |
| SCHEMBL351266 | 0.61 | — | — | |
| SCHEMBL351265 | 0.61 | — | — | |
| Propionic Acid SCHEMBL9619152 | 0.59 | FFAR3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536318-A4 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS | US HEALTH (US) | 1993-11-18 | — | — | EP | disclosed |
| EP-0536318-A1 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS. | US HEALTH (US) | 1993-04-14 | — | — | EP | disclosed |
| WO-1992000331-A1 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) | 1992-01-09 | — | — | WO | disclosed |