⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93213 | 0.81 | — | — | |
| SCHEMBL11507209 | 0.77 | — | — | |
| SCHEMBL18664703 | 0.77 | — | — | |
| SCHEMBL1723997 | 0.77 | — | — | |
| SCHEMBL1721461 | 0.77 | — | — | |
| SCHEMBL3038369 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL21908693 | 0.76 | — | — | |
| SCHEMBL16136730 | 0.76 | — | — | |
| SCHEMBL7305138 | 0.76 | — | — | |
| SCHEMBL3041307 | 0.74 | LMNA (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090029023-A1 | Sulfur Compounds for Enhancing Coffee Aroma and Resultant Products Containing Same | NESTEC S.A. (CH) | 2009-01-29 | — | — | US | claimed |
| EP-1679979-B1 | SULFUR COMPOUNDS FOR ENHANCING COFFEE AROMA AND RESULTANT PRODUCTS CONTAINING SAME | NESTEC SA (CH) | 2008-11-26 | — | — | EP | claimed |
| EP-1679979-A1 | SULFUR COMPOUNDS FOR ENHANCING COFFEE AROMA AND RESULTANT PRODUCTS CONTAINING SAME | NESTEC S.A. (CH) | 2006-07-19 | — | — | EP | claimed |
| WO-2005039313-A1 | SULFUR COMPOUNDS FOR ENHANCING COFFEE AROMA AND RESULTANT PRODUCTS CONTAINING SAME | NESTEC S.A. (CH) | 2005-05-06 | — | — | WO | claimed |
| US-20090029023-A1 | Sulfur Compounds for Enhancing Coffee Aroma and Resultant Products Containing Same | NESTEC S.A. (CH) | 2009-01-29 | — | — | US | disclosed |
| EP-1679979-B1 | SULFUR COMPOUNDS FOR ENHANCING COFFEE AROMA AND RESULTANT PRODUCTS CONTAINING SAME | NESTEC SA (CH) | 2008-11-26 | — | — | EP | disclosed |
| EP-1679979-A1 | SULFUR COMPOUNDS FOR ENHANCING COFFEE AROMA AND RESULTANT PRODUCTS CONTAINING SAME | NESTEC S.A. (CH) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005039313-A1 | SULFUR COMPOUNDS FOR ENHANCING COFFEE AROMA AND RESULTANT PRODUCTS CONTAINING SAME | NESTEC S.A. (CH) | 2005-05-06 | — | — | WO | disclosed |