⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2925574 | 1.00 | — | — | |
| SCHEMBL7517464 | 0.92 | LMNA (0.46) | — | |
| SCHEMBL6343783 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL1361848 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL29159582 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL25408754 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL1738821 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL6037072 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL295050 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL28145252 | 0.90 | LMNA (0.50) | — |
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-10993464-B2 | Thiols as flavoring ingredient | FIRMENICH SA (CH) | 2021-05-04 | — | — | US | disclosed |
| US-20180055077-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2018-03-01 | — | — | US | disclosed |
| US-20130295229-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2013-11-07 | — | — | US | disclosed |
| US-20100303988-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA | 2010-12-02 | — | — | US | disclosed |
| EP-1882027-B1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH & CIE (CH) | 2010-07-21 | — | — | EP | disclosed |
| EP-1882027-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2008-01-30 | — | — | EP | disclosed |
| US-20080020116-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2008-01-24 | — | — | US | disclosed |
| WO-2006120625-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2006-11-16 | — | — | WO | disclosed |