⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6832311 | 1.00 | — | — | |
| SCHEMBL6831690 | 1.00 | — | — | |
| SCHEMBL6832607 | 1.00 | — | — | |
| SCHEMBL334228 | 1.00 | — | — | |
| SCHEMBL7209525 | 1.00 | — | — | |
| SCHEMBL6831692 | 1.00 | — | — | |
| SCHEMBL7209255 | 1.00 | — | — | |
| SCHEMBL7209257 | 1.00 | — | — | |
| SCHEMBL7912566 | 0.76 | — | — | |
| SCHEMBL772803 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |