⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5104809 | 0.71 | — | — | |
| SCHEMBL7363984 | 0.71 | — | — | |
| SCHEMBL2494862 | 0.71 | — | — | |
| SCHEMBL7362756 | 0.71 | — | — | |
| SCHEMBL18284608 | 0.70 | — | — | |
| SCHEMBL1453670 | 0.69 | — | — | |
| SCHEMBL5500128 | 0.65 | — | — | |
| SCHEMBL3207847 | 0.65 | — | — | |
| SCHEMBL19750902 | 0.65 | — | — | |
| SCHEMBL3532754 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8030300-B2 | 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder | GEORGETOWN UNIVERSITY (US) | 2011-10-04 | — | — | US | disclosed |
| US-20080132486-A1 | Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them | GEORGETOWN UNIVERSITY (US) | 2008-06-05 | — | — | US | disclosed |