⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1617802 | 0.99 | — | — | |
| SCHEMBL1617792 | 0.93 | CNR1 (0.30) | — | |
| SCHEMBL1616547 | 0.92 | EPHX2 (0.31) | — | |
| SCHEMBL1617271 | 0.90 | — | — | |
| SCHEMBL1617796 | 0.89 | — | — | |
| SCHEMBL2357386 | 0.88 | CYP1A2 (0.33) | — | |
| SCHEMBL1617592 | 0.88 | — | — | |
| SCHEMBL1616301 | 0.88 | EPHX2 (0.34) | — | |
| SCHEMBL1617094 | 0.87 | — | — | |
| SCHEMBL1618048 | 0.87 | — | — |
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-7923585-B2 | Menthol derivative and cooling agent composition comprising the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20070225378-A1 | Menthol Dearivative and Cooling Agent Composition Comprising the Same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-09-27 | — | — | US | disclosed |