⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL187880 | 0.75 | — | — | |
| SCHEMBL12367887 | 0.73 | — | — | |
| SCHEMBL10716175 | 0.73 | — | — | |
| SCHEMBL13868161 | 0.71 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL22771736 | 0.71 | — | — | |
| SCHEMBL14230549 | 0.71 | — | — | |
| SCHEMBL8950031 | 0.71 | PRMT3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL22771738 | 0.71 | — | — | |
| SCHEMBL13868129 | 0.71 | DNM1 (0.39) | — | |
| SCHEMBL6023371 | 0.71 | ALDH1A1 (0.33) | — |
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-1159257-B1 | ESTERQUATS, THEIR INTERMEDIATES, A PROCESS TO MAKE THE ESTERQUATS, AND THEIR USE | AKZO NOBEL NV (NL) | 2004-04-21 | — | — | EP | disclosed |
| EP-1159257-A1 | ESTERQUATS, THEIR INTERMEDIATES, A PROCESS TO MAKE THE ESTERQUATS, AND THEIR USE | Akzo Nobel N.V. (NL) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000053570-A1 | ESTERQUATS, THEIR INTERMEDIATES, A PROCESS TO MAKE THE ESTERQUATS, AND THEIR USE | AKZO NOBEL N.V. (NL) | 2000-09-14 | — | — | WO | disclosed |