⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4353635 | 0.77 | — | — | |
| SCHEMBL8279003 | 0.69 | CYP2C9 (0.30) | — | |
| SCHEMBL4352454 | 0.69 | CYP2C9 (0.30) | — | |
| SCHEMBL24491119 | 0.65 | — | — | |
| SCHEMBL24491104 | 0.65 | — | — | |
| SCHEMBL4344583 | 0.65 | — | — | |
| SCHEMBL28741037 | 0.62 | EPHX1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL11041529 | 0.62 | CYP2C9 (0.33) | — | |
| SCHEMBL16770070 | 0.62 | KDM4E (0.36) | — | |
| SCHEMBL3265548 | 0.60 | KCNA4 (0.40) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090163404-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | claimed |
| US-7547668-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | claimed |
| US-7547667-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | claimed |
| US-20090163403-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-20090163404-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-20090163403-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-20090163404-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-20090163404-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-20090163403-A1 | Novel Dioxaspiro Compounds and Their Use in Perfume Compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-7547667-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-7547667-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-7547668-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-7547667-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-7547668-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-7547668-B1 | Dioxaspiro compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-06-16 | — | — | US | disclosed |