⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9277831 | 0.90 | — | — | |
| SCHEMBL14230863 | 0.80 | — | — | |
| SCHEMBL8416612 | 0.78 | — | — | |
| SCHEMBL14230913 | 0.78 | — | — | |
| SCHEMBL6672662 | 0.78 | — | — | |
| SCHEMBL14230870 | 0.77 | SCN2A (0.30) | — | |
| SCHEMBL29016698 | 0.77 | SCN2A (0.30) | — | |
| SCHEMBL6235749 | 0.77 | SCN2A (0.30) | — | |
| SCHEMBL16454682 | 0.75 | — | — | |
| SCHEMBL6842420 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689874-A1 | METHOD FOR THE PRODUCTION OF A COMPOUND, COMPRISING A FREE HYDROXYL GROUP AND A HYDROXYL GROUP WHICH IS PROTECTED BY AN ESTER FUNCTION BY ENZYMATIC REACTION | Rhodia Chimie (FR) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005040394-A1 | METHOD FOR THE PRODUCTION OF A COMPOUND, COMPRISING A FREE HYDROXYL GROUP AND A HYDROXYL GROUP WHICH IS PROTECTED BY AN ESTER FUNCTION BY ENZYMATIC REACTION | RHODIA CHIMIE (FR) | 2005-05-06 | — | — | WO | disclosed |