⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9459080 | 0.99 | — | — | |
| SCHEMBL9458552 | 0.93 | CHRM2 (0.42) | — | |
| SCHEMBL9458966 | 0.85 | CHRM2 (0.35) | — | |
| SCHEMBL9459005 | 0.81 | CHRM1 (0.44) | — | |
| SCHEMBL9585060 | 0.80 | CHRNA7 (0.41) | — | |
| SCHEMBL9458898 | 0.80 | — | — | |
| SCHEMBL9710719 | 0.80 | — | — | |
| SCHEMBL9710931 | 0.80 | CHRNA7 (0.41) | — | |
| SCHEMBL9431645 | 0.79 | CHRNA7 (0.45) | — | |
| SCHEMBL9064276 | 0.79 | CHRM2 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0327155-A2 | Pyrazines, pyrimidines and pyridazines, useful in the treatment of senile dementia | MERCK SHARP & DOHME LTD. (GB) | 1989-08-09 | — | — | EP | claimed |
| US-5574053-A | Method for treating anxiety | ELI LILLY AND COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5574029-A | Method for treating anxiety | ELI LILLY AND COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5260293-A | Simulate central muscarinic acetlycholine receptors | MERCK SHARP & DOHME LIMITED (GB) | 1993-11-09 | — | — | US | disclosed |
| EP-0327155-A2 | Pyrazines, pyrimidines and pyridazines, useful in the treatment of senile dementia | MERCK SHARP & DOHME LTD. (GB) | 1989-08-09 | — | — | EP | disclosed |