⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2354559 | 0.81 | POLB (0.30) | — | |
| SCHEMBL20897001 | 0.79 | FFAR3 (0.42) | — | |
| SCHEMBL23111933 | 0.74 | OR51E2 (0.30) | — | |
| SCHEMBL4594908 | 0.71 | — | — | |
| SCHEMBL4595650 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL5008885 | 0.66 | — | — | |
| SCHEMBL6062754 | 0.65 | — | — | |
| SCHEMBL19809808 | 0.65 | EPHX1 (0.31) | — | |
| SCHEMBL18105930 | 0.65 | EPHX1 (0.31) | — | |
| SCHEMBL18105940 | 0.65 | EPHX1 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1541039-B1 | Flavour composition comprising cubebol and a further refreshing agent | FIRMENICH & CIE (CH) | 2008-01-02 | — | — | EP | claimed |
| EP-1541039-A1 | Flavour composition comprising cubebol and a further refreshing agent | FIRMENICH SA (CH) | 2005-06-15 | — | — | EP | claimed |
| JP-2010037272-A | COSMETIC SUITABLE FOR MASSAGE | POLA CHEM IND INC | 2010-02-18 | — | — | JP | disclosed |
| EP-1541039-B1 | Flavour composition comprising cubebol and a further refreshing agent | FIRMENICH & CIE (CH) | 2008-01-02 | — | — | EP | disclosed |
| EP-1541039-A1 | Flavour composition comprising cubebol and a further refreshing agent | FIRMENICH SA (CH) | 2005-06-15 | — | — | EP | disclosed |
| US-6214788-B1 | PERFUMES AND FLAVORS | FIRMENICH SA (CH) | 2001-04-10 | — | — | US | disclosed |
| EP-1040765-A1 | Use of cubebol as a flavoring ingredient | FIRMENICH SA (CH) | 2000-10-04 | — | — | EP | disclosed |