⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2590112 | 0.76 | — | — | |
| SCHEMBL15009251 | 0.69 | — | — | |
| SCHEMBL2346990 | 0.67 | — | — | |
| SCHEMBL183089 | 0.62 | — | — | |
| SCHEMBL126090 | 0.62 | — | — | |
| SCHEMBL18051491 | 0.62 | — | — | |
| SCHEMBL29153222 | 0.60 | — | — | |
| SCHEMBL12334043 | 0.59 | — | — | |
| SCHEMBL4335750 | 0.59 | — | — | |
| SCHEMBL11760806 | 0.59 | — | — |
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-7572918-B2 | Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine | THERAVANCE, INC. (US) | 2009-08-11 | — | — | US | disclosed |