⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5164194 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL7666136 | 0.81 | MEN1 (0.30) | — | |
| SCHEMBL5014866 | 0.80 | — | — | |
| SCHEMBL612217 | 0.79 | — | — | |
| SCHEMBL5164192 | 0.78 | — | — | |
| SCHEMBL375499 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL2363464 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL119343 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL248360 | 0.76 | — | — | |
| SCHEMBL4620512 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | claimed |