⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12424013 | 0.85 | MGAM (0.50) | — | |
| SCHEMBL10389469 | 0.76 | MGAM (0.56) | — | |
| SCHEMBL2128645 | 0.76 | MGAM (0.56) | — | |
| SCHEMBL1608 | 0.76 | — | — | |
| SCHEMBL6729114 | 0.76 | — | — | |
| SCHEMBL3614641 | 0.76 | — | — | |
| SCHEMBL6719979 | 0.73 | — | — | |
| Water SCHEMBL23151837 | 0.72 | MGAM (0.53) | — | |
| SCHEMBL21404935 | 0.72 | — | — | |
| SCHEMBL10934869 | 0.72 | — | — |
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 5 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 |
| US-4175569-A | Substituted-1-ocetyl-3,3-dimethylcyclohexane employed in flavoring tobacco compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-11-27 | — | — | US | disclosed |
| US-4102928-A | REACTING AN ALLYLIC HALIDE WITH 1-ACETYL-3,3-DIMETHYL-CYCLOHEXANE IN THE PRESENCE OF A CROWN ETHER, POTASSIUM HYDROXIDE, AND TOLUENE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4081479-A | ORGANOLEPTIC, ODORS, FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-03-28 | — | — | US | disclosed |