⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1615967 | 0.80 | APP (0.41) | — | |
| SCHEMBL3415080 | 0.63 | PLAU (0.34) | — | |
| SCHEMBL19690937 | 0.61 | MEN1 (0.37) | — | |
| SCHEMBL2244187 | 0.58 | NCF1 (0.34) | — | |
| SCHEMBL2243239 | 0.57 | NCF1 (0.34) | — | |
| SCHEMBL1616253 | 0.57 | PDPK1 (0.37) | — | |
| SCHEMBL1615365 | 0.55 | MAPT (0.41) | — | |
| SCHEMBL10368265 | 0.53 | CYP19A1 (0.58) | — | |
| SCHEMBL2242767 | 0.52 | KDM4E (0.44) | — | |
| SCHEMBL2242306 | 0.51 | ALDH1A1 (0.49) | — |
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-2099763-B1 | 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | disclosed |