⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL54114 | 1.00 | — | — | |
| SCHEMBL54113 | 1.00 | — | — | |
| SCHEMBL1982375 | 1.00 | — | — | |
| SCHEMBL26181176 | 1.00 | — | — | |
| SCHEMBL8036234 | 1.00 | — | — | |
| SCHEMBL604613 | 1.00 | — | — | |
| SCHEMBL8050569 | 1.00 | — | — | |
| Lactic Acid SCHEMBL29124696 | 0.95 | TP53 (0.55) | — | |
| Cadaverine Tartrate SCHEMBL29124598 | 0.93 | TSHR (0.48) | — | |
| Succinic Acid SCHEMBL29124662 | 0.91 | CYP1A2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7691854-B2 | Dihydropyridine derivatives for use as human neutrophil elastase inhibitors | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-06 | — | — | US | disclosed |
| US-20070167406-A1 | Dihydropyridine derivatives for use as human neutrophil elastase inhibitors | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2007-07-19 | — | — | US | disclosed |
| EP-0774452-B1 | Optically active compounds having plural chiral centers and the production thereof | CHISSO CORP (JP) | 2000-01-26 | — | — | EP | disclosed |
| EP-0428392-B1 | Processes for the preparation of optically active compounds having plural chiral centers | CHISSO CORP (JP) | 1998-05-27 | — | — | EP | disclosed |
| EP-0774452-A1 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1997-05-21 | — | — | EP | disclosed |
| US-5574182-A | HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION | CHISSO CORPORATION (JP) | 1996-11-12 | — | — | US | disclosed |
| US-5411877-A | Esterification | CHISSO CORPORATION (JP) | 1995-05-02 | — | — | US | disclosed |
| US-5348870-A | Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization | CHISSO CORPORATION (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0428392-A2 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1991-05-22 | — | — | EP | disclosed |