⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14382708 | 0.70 | TAS2R46 (0.30) | — | |
| SCHEMBL16223189 | 0.70 | — | — | |
| SCHEMBL16223147 | 0.68 | — | — | |
| SCHEMBL5199663 | 0.67 | — | — | |
| SCHEMBL5201025 | 0.66 | — | — | |
| SCHEMBL5276863 | 0.64 | MAPK1 (0.33) | — | |
| SCHEMBL19036970 | 0.64 | CYP2D6 (0.40) | — | |
| SCHEMBL5200075 | 0.64 | LIG1 (0.31) | — | |
| SCHEMBL22614840 | 0.64 | LIG1 (0.31) | — | |
| SCHEMBL5201089 | 0.64 | CYP19A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2801572-B1 | Novel 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2017-01-04 | — | — | EP | disclosed |
| EP-2801572-B1 | Novel 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2017-01-04 | — | — | EP | disclosed |
| US-9115331-B2 | 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2015-08-25 | — | — | US | disclosed |
| US-9115331-B2 | 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2015-08-25 | — | — | US | disclosed |
| US-9115331-B2 | 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2015-08-25 | — | — | US | disclosed |
| US-20140336103-A1 | NOVEL 3,3-DIETHYL-ALKYL-2-OXA-SPIRO[4.5]DEC-7-ENES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2014-11-13 | — | — | US | disclosed |
| US-20140336103-A1 | NOVEL 3,3-DIETHYL-ALKYL-2-OXA-SPIRO[4.5]DEC-7-ENES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2014-11-13 | — | — | US | disclosed |
| US-20140336103-A1 | NOVEL 3,3-DIETHYL-ALKYL-2-OXA-SPIRO[4.5]DEC-7-ENES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2014-11-13 | — | — | US | disclosed |
| EP-2801572-A1 | Novel 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2014-11-12 | — | — | EP | disclosed |
| EP-2801572-A1 | Novel 3,3-diethyl-alkyl-2-oxa-spiro[4.5]dec-7-enes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2014-11-12 | — | — | EP | disclosed |