⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116713 | 0.80 | — | — | |
| SCHEMBL7346515 | 0.74 | — | — | |
| SCHEMBL8011357 | 0.72 | — | — | |
| SCHEMBL363048 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL56766 | 0.69 | — | — | |
| SCHEMBL28809706 | 0.69 | MCL1 (0.39) | — | |
| SCHEMBL6151160 | 0.69 | FAAH (0.37) | — | |
| SCHEMBL5263794 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL2897138 | 0.69 | — | — | |
| SCHEMBL3246784 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2799418-B1 | PREPARATION METHOD OF LYCOPENE INTERMEDIATE 3-METHYL-4,4-DIALKOXY-1-BUTYRALDEHYDE | NANJING UNIV OF TECH (CN) | 2017-04-12 | — | — | EP | disclosed |
| US-8993810-B2 | Preparation method of lycopene intermediate 3-methyl-4,4-dialkoxy-1-butaldehyde | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2015-03-31 | — | — | US | disclosed |
| US-20140357900-A1 | PREPARATION METHOD OF LYCOPENE INTERMEDIATE 3-METHYL-4,4-DIALKOXY-1-BUTALDEHYDE | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2014-12-04 | — | — | US | disclosed |
| EP-2799418-A1 | PREPARATION METHOD OF LYCOPENE INTERMEDIATE 3-METHYL-4,4-DIALKOXY-1-BUTALDEHYDE | Nanjing University Of Technology (CN) | 2014-11-05 | — | — | EP | disclosed |