⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6606635 | 0.86 | CA12 (0.31) | — | |
| SCHEMBL5976741 | 0.78 | — | — | |
| SCHEMBL4031366 | 0.78 | NPC1 (0.30) | — | |
| SCHEMBL2566343 | 0.78 | HTR1A (0.43) | — | |
| SCHEMBL9671249 | 0.74 | SLC2A1 (0.47) | — | |
| SCHEMBL5977938 | 0.73 | CA12 (0.31) | — | |
| SCHEMBL7823518 | 0.72 | HTR1A (0.42) | — | |
| SCHEMBL4742998 | 0.68 | ALDH1A1 (0.64) | — | |
| SCHEMBL5186965 | 0.68 | POLB (0.40) | — | |
| SCHEMBL5546171 | 0.68 | TDP1 (0.34) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121594-B1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R & D IP LLC (US) | 2015-10-21 | — | — | EP | disclosed |
| EP-2121594-B1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R & D IP LLC (US) | 2015-10-21 | — | — | EP | disclosed |
| US-8802856-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-8802856-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-8802856-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-20140051864-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-20140051864-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-20140051864-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2014-02-20 | — | — | US | disclosed |
| CN-101616893-B | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE INC | 2014-01-29 | — | — | CN | disclosed |
| US-8592453-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2013-11-26 | — | — | US | disclosed |
| US-20110021787-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| US-7834185-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2010-11-16 | — | — | US | disclosed |
| US-7834185-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2010-11-16 | — | — | US | disclosed |
| US-7834185-B2 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2010-11-16 | — | — | US | disclosed |
| EP-2121594-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080207736-A1 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-08-28 | — | — | US | disclosed |
| US-20080207736-A1 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-08-28 | — | — | US | disclosed |
| WO-2008103426-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008103426-A1 | QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20080207736-A1 | Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-08-28 | — | — | US | disclosed |