⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6828718 | 0.76 | GPR84 (0.32) | — | |
| SCHEMBL6696578 | 0.74 | CAMK2A (0.32) | — | |
| SCHEMBL4442361 | 0.72 | FFAR1 (0.42) | — | |
| SCHEMBL7879109 | 0.72 | FFAR4 (0.39) | — | |
| SCHEMBL7262843 | 0.69 | DNM1 (0.37) | — | |
| SCHEMBL8769847 | 0.68 | ACHE (0.35) | — | |
| SCHEMBL8139925 | 0.68 | CAMK2A (0.34) | — | |
| SCHEMBL8355107 | 0.67 | GPR84 (0.40) | — | |
| SCHEMBL14992899 | 0.67 | — | — | |
| SCHEMBL7678847 | 0.66 | GRIK1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2501761-A2 | USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS | Symrise AG (DE) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011061330-A9 | USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS | SYMRISE AG (DE) | 2012-01-05 | — | — | WO | disclosed |
| WO-2011061330-A2 | USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS | SYMRISE AG (DE) | 2011-05-26 | — | — | WO | disclosed |