⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16357614 | 0.84 | SLC6A2 (0.35) | — | |
| SCHEMBL1532491 | 0.81 | — | — | |
| SCHEMBL4312352 | 0.81 | — | — | |
| SCHEMBL5475949 | 0.79 | — | — | |
| SCHEMBL8751749 | 0.78 | CTSA (0.43) | — | |
| SCHEMBL1687706 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL21559965 | 0.78 | FBP1 (0.36) | — | |
| SCHEMBL21525583 | 0.77 | CTSA (0.50) | — | |
| SCHEMBL8399663 | 0.77 | — | — | |
| SCHEMBL5803213 | 0.76 | ALDH1A1 (0.37) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1272488-B1 | TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-22 | — | — | EP | disclosed |
| US-6841564-B2 | Tri-aryl-substituted-ethane PDE4 inhibitors | MERCK FROSST CANADA & CO. (CA) | 2005-01-11 | — | — | US | disclosed |
| EP-1436290-A1 | ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR | Merck Frosst Canada & Co. (CA) | 2004-07-14 | — | — | EP | disclosed |
| US-6639077-B2 | Ethanes substituted with a phenyl, a thiazole, and a pyridyl are phosphodiesterase (PDE4) inhibitors; leukotriene receptor antagonists | MERCK FROSST CANADA & CO. (CA) | 2003-10-28 | — | — | US | disclosed |
| WO-2003018579-A1 | ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-03-06 | — | — | WO | disclosed |
| US-20020173661-A1 | Tri-aryl-substituted-ethane PDE4 inhibitors | MERCK FROSST CANADA & CO. | 2002-11-21 | — | — | US | disclosed |
| US-20020156105-A1 | Tri-aryl-substituted-ethane PDE4 inhibitors | MERCK FROSST CANADA LTD. (CA) | 2002-10-24 | — | — | US | disclosed |
| US-6399636-B2 | FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD), EOSINOPHILIC GRANULOMA, PSORIASIS AND SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN | MERCK FROSST CANADA & CO. (CA) | 2002-06-04 | — | — | US | disclosed |
| US-5973156-A | Piperidine and tetrahydropyridine derivatives | MERCK SHARP & DOME LTD. (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |
| EP-0303464-B1 | CHLOROANILINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-07-28 | — | — | EP | disclosed |
| US-5149698-A | Pyrimidinyl alkyleneoxy bronchodilator agent | GLAXO GROUP LIMITED (GB) | 1992-09-22 | — | — | US | disclosed |
| US-4996218-A | Bronchodilator, antiulcer agent, cardiovascular disorders | GLAXO GROUP LIMITED (GB) | 1991-02-26 | — | — | US | disclosed |
| EP-0303464-A2 | Chloroaniline derivatives | GLAXO GROUP LIMITED (GB) | 1989-02-15 | — | — | EP | disclosed |