⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782089 | 0.83 | — | — | |
| SCHEMBL1784189 | 0.81 | — | — | |
| SCHEMBL1783904 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL1782059 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL1783470 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL1784989 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL1658254 | 0.74 | — | — | |
| SCHEMBL1782091 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL1781830 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL1785977 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |