⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1286839 | 0.73 | LMNA (0.35) | — | |
| SCHEMBL6045407 | 0.71 | — | — | |
| Propionic Acid SCHEMBL27522109 | 0.69 | — | — | |
| SCHEMBL9641013 | 0.69 | — | — | |
| SCHEMBL9640216 | 0.69 | — | — | |
| SCHEMBL2177849 | 0.69 | — | — | |
| Bicarbonate SCHEMBL31013481 | 0.68 | — | — | |
| SCHEMBL10734161 | 0.67 | — | — | |
| SCHEMBL5068455 | 0.65 | — | — | |
| R-Chloropropionate SCHEMBL27628504 | 0.65 | LMNA (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102875610-A | Method for preparing 2-acetamido-2-deoxy-3, 4, 6-triacetyl-beta-D-chloro pyranoglucose | HUAIHAI INST TECHNOLOGY | 2013-01-16 | — | — | CN | disclosed |
| US-20080153872-A1 | Bis-(Coumarin) Compounds With Anti-Inflammatory Activity | PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) | 2008-06-26 | — | — | US | disclosed |
| EP-1846387-A2 | BIS-(COUMARIN) COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY | GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006111858-A2 | BIS-(COUMARIN) COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY | GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) | 2006-10-26 | — | — | WO | disclosed |