⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3226686 | 0.77 | ADH1B (0.31) | — | |
| SCHEMBL27726400 | 0.75 | ADH1B (0.31) | — | |
| SCHEMBL98092 | 0.74 | ADH1A (0.40) | — | |
| SCHEMBL7353900 | 0.74 | ADH1A (0.40) | — | |
| SCHEMBL3980760 | 0.72 | — | — | |
| SCHEMBL3979172 | 0.72 | ADH1B (0.33) | — | |
| SCHEMBL16191176 | 0.72 | SHBG (0.31) | — | |
| SCHEMBL16192875 | 0.72 | SHBG (0.31) | — | |
| SCHEMBL27726396 | 0.72 | EPHX1 (0.32) | — | |
| SCHEMBL24219926 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7511001-B2 | Substituted cyclohexyl propanal compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-7511001-B2 | Substituted cyclohexyl propanal compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-7511001-B2 | Substituted cyclohexyl propanal compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-20090036347-A1 | SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2009-02-05 | — | — | US | disclosed |
| US-20090036347-A1 | SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2009-02-05 | — | — | US | disclosed |
| US-20090036347-A1 | SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2009-02-05 | — | — | US | disclosed |