⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12317549 | 0.76 | — | — | |
| SCHEMBL2154299 | 0.76 | — | — | |
| SCHEMBL5598969 | 0.74 | — | — | |
| SCHEMBL17283033 | 0.72 | — | — | |
| SCHEMBL7460628 | 0.72 | — | — | |
| SCHEMBL6437815 | 0.69 | ADH1B (0.32) | — | |
| SCHEMBL12216598 | 0.69 | — | — | |
| SCHEMBL79570 | 0.69 | — | — | |
| SCHEMBL27472369 | 0.67 | ADH1B (0.30) | — | |
| SCHEMBL14181274 | 0.67 | ADH1B (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740523-B1 | NEW 1-METHOXY-2-PHENYL ETHENES FOR THE PREPARATION OF 5-CARBOXALDEHYDE-2-3-DIHYDROBENZOXEPINES | MERCK PATENT GMBH (DE) | 2011-03-02 | — | — | EP | disclosed |
| US-7442814-B2 | 1-methoxy-2-phenyl ethenes useful for the preparation of 5-carboxaldehyde-2-3-dihydrobenzoxepines | MERCK PATENT GMBH (DE) | 2008-10-28 | — | — | US | disclosed |
| US-20070219381-A1 | New 1-Methoxy-2-Phenyl Ethenes Useful for the Preparation of 5-Carboxaldehyde-2-3-Dihydrobenzoxepines | MERCK PATENT GMBH (DE) | 2007-09-20 | — | — | US | disclosed |
| EP-1591434-B1 | New 1-methoxy-2-phenyl ethenes useful for the preparation of 5-carboxaldehyde-2-3-dihydrobenzoxepines | MERCK SANTE SAS (FR) | 2007-04-25 | — | — | EP | disclosed |
| EP-1740523-A1 | NEW 1-METHOXY-2-PHENYL ETHENES FOR THE PREPARATION OF 5-CARBOXALDEHYDE-2-3-DIHYDROBENZOXEPINES | MERCK PATENT GmbH (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005102977-A1 | NEW 1-METHOXY-2-PHENYL ETHENES FOR THE PREPARATION OF 5-CARBOXALDEHYDE-2-3-DIHYDROBENZOXEPINES | MERCK PATENT GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| EP-1591434-A1 | New 1-methoxy-2-phenyl ethenes useful for the preparation of 5-carboxaldehyde-2-3-dihydrobenzoxepines | Merck Sante (FR) | 2005-11-02 | — | — | EP | disclosed |