⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13822457 | 1.00 | — | — | |
| SCHEMBL11182883 | 0.78 | POLB (0.31) | — | |
| SCHEMBL5691528 | 0.76 | CHRM2 (0.31) | — | |
| SCHEMBL10440147 | 0.72 | — | — | |
| SCHEMBL10439983 | 0.72 | — | — | |
| SCHEMBL346825 | 0.72 | — | — | |
| SCHEMBL31274100 | 0.72 | POLB (0.31) | — | |
| SCHEMBL7084857 | 0.68 | EPHX1 (0.31) | — | |
| SCHEMBL5789284 | 0.67 | — | — | |
| SCHEMBL3505529 | 0.66 | POLB (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120308486-A1 | Fragrance and/or flavoring compositions containing dioxolanes | SYMRISE AG (DE) | 2012-12-06 | — | — | US | claimed |
| US-20120308486-A1 | Fragrance and/or flavoring compositions containing dioxolanes | SYMRISE AG (DE) | 2012-12-06 | — | — | US | disclosed |
| EP-2524959-A1 | Dioxolanes containing olfactory and/or aromatic substances | Symrise AG (DE) | 2012-11-21 | — | — | EP | disclosed |