⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12257876 | 1.00 | — | — | |
| SCHEMBL17705173 | 0.82 | PPARG (0.52) | — | |
| SCHEMBL160884 | 0.82 | — | — | |
| SCHEMBL160882 | 0.82 | — | — | |
| SCHEMBL27966758 | 0.81 | PPARG (0.47) | — | |
| SCHEMBL2355215 | 0.80 | PPARG (0.50) | — | |
| SCHEMBL2355209 | 0.80 | PPARG (0.50) | — | |
| SCHEMBL23728336 | 0.78 | — | — | |
| SCHEMBL16268602 | 0.78 | — | — | |
| SCHEMBL16268599 | 0.78 | — | — |
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-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |