⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27976500 | 0.85 | — | — | |
| SCHEMBL17207566 | 0.83 | MIF (0.52) | — | |
| SCHEMBL25333148 | 0.77 | — | — | |
| SCHEMBL17175693 | 0.72 | — | — | |
| SCHEMBL1688839 | 0.72 | KEAP1 (0.44) | — | |
| SCHEMBL691779 | 0.72 | — | — | |
| SCHEMBL1364810 | 0.72 | — | — | |
| Ethane SCHEMBL1821048 | 0.70 | KEAP1 (0.40) | — | |
| SCHEMBL483904 | 0.69 | — | — | |
| SCHEMBL8374866 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2742983-B1 | Method for isolating fragrance and flavour compounds | SYMRISE AG (DE) | 2017-08-23 | — | — | EP | claimed |
| EP-2742983-A1 | Method for isolating fragrance and flavour compounds | Symrise AG (DE) | 2014-06-18 | — | — | EP | claimed |
| EP-2515921-A2 | USE | Plant Bioscience Limited (GB) | 2012-10-31 | — | — | EP | claimed |
| WO-2011077163-A2 | USE | PLANT BIOSCIENCE LIMITED (GB) | 2011-06-30 | — | — | WO | claimed |
| EP-2742983-B1 | Method for isolating fragrance and flavour compounds | SYMRISE AG (DE) | 2017-08-23 | — | — | EP | disclosed |
| EP-2742983-A1 | Method for isolating fragrance and flavour compounds | Symrise AG (DE) | 2014-06-18 | — | — | EP | disclosed |
| EP-2515921-A2 | USE | Plant Bioscience Limited (GB) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011077163-A2 | USE | PLANT BIOSCIENCE LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |