⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL394557 | 1.00 | — | — | |
| SCHEMBL10837769 | 0.76 | — | — | |
| SCHEMBL9091561 | 0.73 | — | — | |
| SCHEMBL974584 | 0.69 | — | — | |
| SCHEMBL17396640 | 0.69 | — | — | |
| SCHEMBL236128 | 0.69 | — | — | |
| SCHEMBL236127 | 0.69 | — | — | |
| SCHEMBL19974073 | 0.67 | TRPA1 (0.43) | — | |
| SCHEMBL236928 | 0.67 | — | — | |
| SCHEMBL19973750 | 0.67 | TRPA1 (0.43) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730121-B1 | 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS | BAYER IP GMBH (DE) | 2013-08-07 | — | — | EP | disclosed |
| US-8343987-B2 | Heterocyclic derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-01-01 | — | — | US | disclosed |
| EP-1723121-B1 | 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS | Bayer Pharma AG (DE) | 2012-07-25 | — | — | EP | disclosed |
| US-8101615-B2 | Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-24 | — | — | US | disclosed |
| US-7893073-B2 | Heterocyclic derivatives | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-02-22 | — | — | US | disclosed |
| US-20100184788-A1 | HETEROCYCLIC DERIVATIVES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-07-22 | — | — | US | disclosed |
| US-20080193700-A1 | Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2008-08-14 | — | — | US | disclosed |
| US-20080064704-A1 | 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors | BAYER HEALTHCARE AG (DE) | 2008-03-13 | — | — | US | disclosed |
| US-20080021053-A1 | Heterocyclic Derivatives | BAYER HEALTHCARE AG (DE) | 2008-01-24 | — | — | US | disclosed |
| EP-1743333-A1 | METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY | CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005082864-A1 | 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005082863-A2 | 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2005-09-09 | — | — | WO | disclosed |
| US-6723718-B2 | GLUTAMATERGIC ANTAGONIST AND AGONISTS; ANTIISCHEMIC AND ANTISPASMODIC AGENTS; BRAIN AND NERVOUS SYSTEM DISORDERS; TRAUMA | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-20 | — | — | US | disclosed |
| US-20030158424-A1 | Substituted alpha, beta-anellated butyrolactones | STOLLE ANDREAS (DE) | 2003-08-21 | — | — | US | disclosed |
| US-6462074-B1 | Substituted α, β-anellated butyrolactones | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1047684-B1 | SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES | BAYER AG (DE) | 2002-10-02 | — | — | EP | disclosed |
| US-6376539-B1 | ANTIISCHEMIC AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-23 | — | — | US | disclosed |
| WO-2001004107-A1 | SUBSTITUTED α,β-ANELLATED BUTYROLACTONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-18 | — | — | WO | disclosed |
| EP-1047684-A1 | SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES | BAYER AG (DE) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999036416-A1 | SUBSTITUTED α,β-ANELLATED BUTYROLACTONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-22 | — | — | WO | disclosed |