⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1617277 | 0.88 | — | — | |
| SCHEMBL1616516 | 0.86 | — | — | |
| SCHEMBL1617104 | 0.86 | — | — | |
| SCHEMBL1617453 | 0.85 | — | — | |
| SCHEMBL1617612 | 0.85 | — | — | |
| SCHEMBL1617609 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL1617759 | 0.84 | — | — | |
| SCHEMBL1617253 | 0.82 | — | — | |
| SCHEMBL10964692 | 0.75 | CYP1A2 (0.34) | — | |
| SCHEMBL110176 | 0.74 | CYP1A2 (0.33) | — |
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 |