⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4816495 | 0.63 | — | — | |
| SCHEMBL15797805 | 0.58 | — | — | |
| SCHEMBL19259352 | 0.56 | — | — | |
| SCHEMBL305408 | 0.56 | — | — | |
| SCHEMBL13944219 | 0.56 | — | — | |
| SCHEMBL8544109 | 0.54 | — | — | |
| SCHEMBL14420178 | 0.53 | — | — | |
| SCHEMBL2379600 | 0.53 | — | — | |
| SCHEMBL8004009 | 0.53 | — | — | |
| SCHEMBL8004186 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2801571-B1 | Novel diethyl-methyl-hexahydro-isobenzofurans and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2015-09-16 | — | — | EP | disclosed |
| EP-1613611-A1 | NOVEL SESQUITERPENE OXIDES AS PERFUMING AND FLAVOURING AGENTS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-01-11 | — | — | EP | disclosed |
| EP-1613611-A1 | NOVEL SESQUITERPENE OXIDES AS PERFUMING AND FLAVOURING AGENTS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004085417-A1 | NOVEL SESQUITERPENE OXIDES AS PERFUMING AND FLAVOURING AGENTS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-10-07 | — | — | WO | disclosed |
| WO-2004085417-A1 | NOVEL SESQUITERPENE OXIDES AS PERFUMING AND FLAVOURING AGENTS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-10-07 | — | — | WO | disclosed |