⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4474596 | 1.00 | — | — | |
| SCHEMBL13712029 | 0.81 | — | — | |
| SCHEMBL10511638 | 0.78 | — | — | |
| SCHEMBL10511644 | 0.78 | — | — | |
| SCHEMBL4485474 | 0.75 | — | — | |
| SCHEMBL4485477 | 0.75 | — | — | |
| SCHEMBL1784598 | 0.75 | — | — | |
| SCHEMBL1784596 | 0.75 | — | — | |
| SCHEMBL4477898 | 0.72 | — | — | |
| SCHEMBL4477893 | 0.72 | — | — |
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-1742929-B1 | Trisubstituted furans suitable for the preparation of fragrance compositions | GIVAUDAN SA (CH) | 2012-06-20 | — | — | EP | disclosed |
| US-7632790-B2 | 2,2-Disubstituted-5-methyl-2,5-dihydro- and 2,2-disubstituted 5-methyl-tetrahydrofurans; 2-tert-butyl-5-methyl-2-propyl-2,5-dihydrofuran or tetrahydrofuran;black currant odorants free of any sulfur by-products; fruity; impart naturalness andfreshness; cosmetics; toiletries; laundering | GIVAUDAN S.A. (CH) | 2009-12-15 | — | — | US | disclosed |
| US-20080039360-A1 | Trisubstituted Furans Suitable For The Preparation Of Fragrance Compositions | GIVAUDAN S.A. (CH) | 2008-02-14 | — | — | US | disclosed |
| EP-1742929-A1 | TRISUBSTITUTED FURANS SUITABLE FOR THE PREPARATION OF FRAGRANCE COMPOSITIONS | Givaudan SA (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005087756-A1 | TRISUBSTITUTED FURANS SUITABLE FOR THE PREPARATION OF FRAGRANCE COMPOSITIONS | GIVAUDAN SA (CH) | 2005-09-22 | — | — | WO | disclosed |