⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24471525 | 0.82 | — | — | |
| SCHEMBL13046002 | 0.80 | GABRR1 (0.36) | — | |
| SCHEMBL18614512 | 0.78 | LMNA (0.44) | — | |
| SCHEMBL1780881 | 0.78 | LMNA (0.44) | — | |
| SCHEMBL10066924 | 0.78 | LMNA (0.44) | — | |
| SCHEMBL1786388 | 0.78 | CHRNB2 (0.37) | — | |
| SCHEMBL13924886 | 0.77 | GABRR1 (0.43) | — | |
| SCHEMBL24471530 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL6359659 | 0.72 | TSHR (0.56) | — | |
| SCHEMBL13855721 | 0.72 | GABRR1 (0.34) | — |
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 3 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 |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |