⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13623703 | 0.77 | — | — | |
| SCHEMBL14500944 | 0.76 | — | — | |
| SCHEMBL14500934 | 0.76 | — | — | |
| SCHEMBL13623200 | 0.75 | EBP (0.39) | — | |
| SCHEMBL2353837 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL12036004 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL2356094 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL1899205 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL52122 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL4357144 | 0.73 | ALDH1A1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7615526-B2 | Furanoid and pyranoid C14-C18- oxabicycloalkanones as odoriferous and/or aroma substances | SYMRISE GMBH & CO. KG (DE) | 2009-11-10 | — | — | US | disclosed |
| US-20080234174-A1 | FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES | SYMRISE GMBH & CO. KG (DE) | 2008-09-25 | — | — | US | disclosed |