⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3208533 | 0.82 | ADORA3 (0.40) | — | |
| SCHEMBL14036960 | 0.81 | NR1I2 (0.32) | — | |
| SCHEMBL14206580 | 0.80 | — | — | |
| SCHEMBL12227569 | 0.76 | — | — | |
| SCHEMBL13491487 | 0.73 | CPB2 (0.34) | — | |
| SCHEMBL13491287 | 0.72 | ADORA3 (0.36) | — | |
| SCHEMBL14206750 | 0.71 | NR1I2 (0.30) | — | |
| SCHEMBL13491388 | 0.71 | NR1I2 (0.30) | — | |
| SCHEMBL13169076 | 0.71 | ADORA3 (0.41) | — | |
| SCHEMBL3224579 | 0.71 | ALDH1A1 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008053331-A1 | ALPHA-SUBSTITUTED OMEGA-3 LIPIDS THAT ARE ACTIVATORS OR MODULATORS OF THE PEROXISOME PROLIFERATORS-ACTIVATED RECEPTOR (PPAR). | PRONOVA BIOPHARMA NORGE A/S (SE) | 2008-05-08 | — | — | WO | disclosed |