⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7678887 | 1.00 | — | — | |
| SCHEMBL10058635 | 0.73 | — | — | |
| SCHEMBL10058167 | 0.73 | — | — | |
| SCHEMBL22841126 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL11211978 | 0.71 | — | — | |
| SCHEMBL2632454 | 0.70 | SLC6A4 (0.32) | — | |
| SCHEMBL20963988 | 0.69 | — | — | |
| SCHEMBL12648317 | 0.69 | — | — | |
| SCHEMBL28825344 | 0.67 | — | — | |
| SCHEMBL10420937 | 0.67 | ADH1B (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000015617-A1 | 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE | SANOFI-SYNTHELABO (FR) | 2000-03-23 | — | — | WO | disclosed |