⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333113 | 1.00 | — | — | |
| SCHEMBL3193254 | 1.00 | — | — | |
| SCHEMBL18343099 | 1.00 | ALDH1A1 (0.32) | — | |
| SCHEMBL11044537 | 0.88 | — | — | |
| SCHEMBL385570 | 0.85 | — | — | |
| SCHEMBL15265922 | 0.82 | — | — | |
| SCHEMBL11661346 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL6011972 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL20446695 | 0.80 | — | — | |
| SCHEMBL1245834 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1055667-A2 | Mercapto alcohols as flavouring compounds | Givaudan SA (CH) | 2000-11-29 | — | — | EP | claimed |
| EP-1757933-B1 | METHOD FOR THE DETERMINATION OF BODY ODOR | KAO CORP (JP) | 2013-01-09 | — | — | EP | disclosed |
| US-7858378-B2 | Method for the determination of body odor | KAO CORPORATION (JP) | 2010-12-28 | — | — | US | disclosed |
| US-20100035355-A1 | METHOD FOR THE DETERMINATION OF BODY ODOR | KAO CORPORATION (JP) | 2010-02-11 | — | — | US | disclosed |
| US-7608459-B2 | Method for the determination of body odor | KAO CORPORATION (JP) | 2009-10-27 | — | — | US | disclosed |
| US-20080014649-A1 | Method for the Determination of Body Odor | KAO CORPORATION (JP) | 2008-01-17 | — | — | US | disclosed |
| EP-1757933-A1 | METHOD FOR THE DETERMINATION OF BODY ODOR | Kao Corporation (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-6805893-B2 | 3-MERCAPTO-2-METHYL-BUTAN-1-OL STEREOISOMERS OR ENANTIOMORPHS ARE USED TO FLAVOR FOODS AND/OR BEVERAGES | GIVAUDAN SA (CH) | 2004-10-19 | — | — | US | disclosed |
| US-20040047960-A1 | Mercapto-alkanol flavor compounds | GIVAUDAN SA | 2004-03-11 | — | — | US | disclosed |
| US-6610346-B1 | 3- mercapto-2-methyl-butan-1-ol and/or 3-mercapto-3-methyl-hexan-1- ol, and the stereoisomers of each, are used to flavor products, such as foods and/or beverages. Methods for the preparation of both | GIVAUDAN SCHWEIZ AG (CH) | 2003-08-26 | — | — | US | disclosed |
| EP-1055667-A2 | Mercapto alcohols as flavouring compounds | Givaudan SA (CH) | 2000-11-29 | — | — | EP | disclosed |