⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27985353 | 0.97 | — | — | |
| Piperazine SCHEMBL28111960 | 0.89 | — | — | |
| SCHEMBL419066 | 0.88 | — | — | |
| SCHEMBL30349526 | 0.85 | — | — | |
| SCHEMBL15545054 | 0.85 | — | — | |
| SCHEMBL87532 | 0.85 | — | — | |
| SCHEMBL30558016 | 0.85 | — | — | |
| SCHEMBL30349410 | 0.85 | — | — | |
| SCHEMBL4361674 | 0.85 | — | — | |
| SCHEMBL15544478 | 0.85 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104892557-A | Asymmetric syntheses method of chiral dihydrocoumarin derivative | HUAIHAI INST TECHNOLOGY | 2015-09-09 | — | — | CN | claimed |
| CN-104788415-B | A kind of method of asymmetric synthesis 4 nitromethyla, 3 benzyl 3,4 dihydrocoumarin derivant | 淮海工学院 | 2017-03-01 | — | — | CN | disclosed |
| CN-104892557-A | Asymmetric syntheses method of chiral dihydrocoumarin derivative | HUAIHAI INST TECHNOLOGY | 2015-09-09 | — | — | CN | disclosed |
| CN-104788415-A | Method for asymmetrically synthesizing 4-nitromethyl-3-benzyl-3,4-dihydrocoumarin derivative | HUAIHAI INST TECHNOLOGY | 2015-07-22 | — | — | CN | disclosed |
| CN-100554256-C | Quaternary ammonium salt, electrolyte and electrochemical device | OTSUKA CHEMICAL CO LTD (JP) | 2009-10-28 | — | — | CN | disclosed |
| CN-1802362-A | Quaternary ammonium salt, electrolyte and electrochemical device | OTSUKA CHEMICAL CO LTD (JP) | 2006-07-12 | — | — | CN | disclosed |