⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL797466 | 0.95 | — | — | |
| Ether SCHEMBL27134483 | 0.91 | ALDH1A1 (0.39) | — | |
| Ether SCHEMBL699018 | 0.91 | — | — | |
| Ether SCHEMBL310584 | 0.91 | — | — | |
| Ether SCHEMBL811889 | 0.91 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL351216 | 0.91 | — | — | |
| Ether SCHEMBL21816757 | 0.86 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL21326457 | 0.86 | — | — | |
| Ether SCHEMBL421875 | 0.86 | — | — | |
| Ether SCHEMBL9750539 | 0.86 | ALDH1A1 (0.41) | — |
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-0264124-B1 | QUINOLINE BASE COMPOUND, PROCESS FOR THE PREPARATION THEREOF AND ANTICANCER AGENT CONTAINING THE SAME AS PHARMACOLOGICALLY EFFICACIOUS COMPONENT | MECT CORPORATION (JP) | 1992-03-11 | — | — | EP | disclosed |
| US-4826850-A | Quinoline base compound, process for the preparation thereof and anticancer agent containing the same as pharmacologically efficacious component | MECT CORPORATION (JP) | 1989-05-02 | — | — | US | disclosed |
| EP-0264124-A1 | Quinoline base compound, process for the preparation thereof and anticancer agent containing the same as pharmacologically efficacious component | MECT CORPORATION (JP) | 1988-04-20 | — | — | EP | disclosed |