⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8650791 | 1.00 | — | — | |
| SCHEMBL8650795 | 1.00 | — | — | |
| SCHEMBL22448464 | 1.00 | — | — | |
| SCHEMBL8650793 | 1.00 | — | — | |
| SCHEMBL25986306 | 0.86 | GLB1 (0.31) | — | |
| SCHEMBL12464625 | 0.80 | — | — | |
| SCHEMBL4406364 | 0.80 | — | — | |
| SCHEMBL22559995 | 0.80 | — | — | |
| SCHEMBL100461 | 0.80 | — | — | |
| SCHEMBL2528838 | 0.80 | — | — |
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-2139900-A2 | NOVEL FUNCTIONAL COMPOUNDS WITH AN ISOSORBIDE OR ISOSORBIDE ISOMER CORE, PRODUCTION PROCESS AND USES OF THESE COMPOUNDS | ARKEMA FRANCE (FR) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008145921-A2 | NOVEL FUNCTIONAL COMPOUNDS WITH AN ISOSORBIDE OR ISOSORBIDE ISOMER CORE, PRODUCTION PROCESS AND USES OF THESE COMPOUNDS | ARKEMA FRANCE (FR) | 2008-12-04 | — | — | WO | disclosed |