⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6855980 | 0.80 | CHRM2 (0.38) | — | |
| SCHEMBL4220873 | 0.78 | — | — | |
| Bromide SCHEMBL6856629 | 0.77 | CHRM2 (0.36) | — | |
| SCHEMBL13631392 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4496462 | 0.71 | — | — | |
| SCHEMBL13867879 | 0.70 | — | — | |
| SCHEMBL24925834 | 0.68 | — | — | |
| SCHEMBL23153984 | 0.68 | — | — | |
| SCHEMBL24770546 | 0.67 | — | — | |
| SCHEMBL24824800 | 0.65 | CHRM2 (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 |
|---|---|---|---|---|---|---|---|
| US-20120196845-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-08-02 | — | — | US | disclosed |