⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4686182 | 0.82 | PRKDC (0.33) | — | |
| SCHEMBL4422442 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL4686172 | 0.77 | GRM5 (0.34) | — | |
| SCHEMBL4433379 | 0.76 | MAPT (0.39) | — | |
| SCHEMBL4686183 | 0.74 | HSD17B1 (0.40) | — | |
| SCHEMBL4429683 | 0.74 | HSD17B1 (0.50) | — | |
| SCHEMBL4421767 | 0.73 | CYP2C19 (0.45) | — | |
| SCHEMBL4423870 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL4426157 | 0.72 | CYP2C19 (0.44) | — | |
| SCHEMBL4423877 | 0.72 | WRN (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1943247-A1 | TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Merz Pharma GmbH & Co.KGaA (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007023245-A1 | TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2007-03-01 | — | — | WO | disclosed |