⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4070883 | 1.00 | — | — | |
| SCHEMBL301246 | 0.94 | — | — | |
| SCHEMBL6751047 | 0.94 | — | — | |
| SCHEMBL28045378 | 0.94 | — | — | |
| SCHEMBL3973719 | 0.89 | — | — | |
| Hydrogen Peroxide SCHEMBL7011640 | 0.89 | — | — | |
| SCHEMBL3973715 | 0.89 | — | — | |
| Water SCHEMBL4468314 | 0.89 | — | — | |
| Sulfurous Acid SCHEMBL2184614 | 0.89 | CA1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL28255409 | 0.89 | — | — |
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 8 patents. 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 | claimed |
| EP-1805168-A1 | PROCESS FOR PREPARING SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE AND RELATED COMPOUNDS | Theravance, Inc. (US) | 2007-07-11 | — | — | EP | claimed |
| WO-2006050025-A1 | PROCESS FOR PREPARING SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE AND RELATED COMPOUNDS | THERAVANCE, INC. (US) | 2006-05-11 | — | — | WO | claimed |
| US-20060094878-A1 | Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. | 2006-05-04 | — | — | US | claimed |
| 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 |
| EP-1805168-A1 | PROCESS FOR PREPARING SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE AND RELATED COMPOUNDS | Theravance, Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006050025-A1 | PROCESS FOR PREPARING SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE AND RELATED COMPOUNDS | THERAVANCE, INC. (US) | 2006-05-11 | — | — | WO | disclosed |
| US-20060094878-A1 | Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. | 2006-05-04 | — | — | US | disclosed |