⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19066475 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL19084161 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL4563981 | 0.75 | — | — | |
| SCHEMBL19284966 | 0.75 | — | — | |
| SCHEMBL1903210 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL8960587 | 0.72 | — | — | |
| SCHEMBL3049981 | 0.72 | — | — | |
| SCHEMBL24296965 | 0.70 | OPRM1 (0.33) | — | |
| SCHEMBL9676667 | 0.70 | — | — | |
| SCHEMBL22500674 | 0.70 | ACE2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809256-B2 | 2-hydroxy-6-methyl-heptane derivatives as perfuming ingredients | FIRMENISH SA (CH) | 2014-08-19 | — | — | US | disclosed |
| EP-2563752-B1 | 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH & CIE (CH) | 2014-01-15 | — | — | EP | disclosed |
| EP-2563752-A1 | 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS | Firmenich SA (CH) | 2013-03-06 | — | — | EP | disclosed |
| US-20130011353-A1 | 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2013-01-10 | — | — | US | disclosed |
| WO-2011135487-A1 | 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2011-11-03 | — | — | WO | disclosed |