⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6363047 | 0.66 | — | — | |
| SCHEMBL5465232 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL1587906 | 0.61 | — | — | |
| SCHEMBL18145177 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL551724 | 0.59 | ALDH1A1 (0.39) | — | |
| SCHEMBL8027649 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL7661885 | 0.56 | — | — | |
| SCHEMBL1408600 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL22387333 | 0.54 | — | — | |
| Biphenyl SCHEMBL28219476 | 0.53 | ALDH1A1 (0.44) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10806683-B2 | Encapsulated perfume compositions | GIVAUDAN SA (CH) | 2020-10-20 | — | — | US | disclosed |
| US-10722857-B2 | Encapsulated perfume compositions | GIVAUDAN S.A. (CH) | 2020-07-28 | — | — | US | disclosed |
| US-10537868-B2 | Microcapsules | GIVAUDAN S.A. (CH) | 2020-01-21 | — | — | US | disclosed |
| US-20180185808-A1 | MICROCAPSULES | GIVAUDAN SA (CH) | 2018-07-05 | — | — | US | disclosed |
| US-20180177689-A1 | IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS | GIVAUDAN S.A. (CH) | 2018-06-28 | — | — | US | disclosed |
| US-20180169603-A1 | IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS | GIVAUDAN S.A. (CH) | 2018-06-21 | — | — | US | 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 |