⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3250197 | 1.00 | — | — | |
| SCHEMBL427481 | 1.00 | — | — | |
| SCHEMBL27930888 | 0.97 | THRB (0.46) | — | |
| SCHEMBL9385488 | 0.97 | THRB (0.46) | — | |
| Isopropyl Alcohol SCHEMBL8723907 | 0.95 | THRB (0.43) | — | |
| SCHEMBL12459736 | 0.92 | FFAR4 (0.54) | — | |
| SCHEMBL5414027 | 0.92 | FFAR4 (0.54) | — | |
| SCHEMBL304078 | 0.92 | FFAR4 (0.54) | — | |
| SCHEMBL3177551 | 0.91 | FFAR4 (0.48) | — | |
| SCHEMBL23225808 | 0.90 | FFAR4 (0.57) | — |
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 14 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 |
| WO-2019196918-A1 | FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 罗欣药业(上海)有限公司 | 2019-10-17 | — | — | WO | disclosed |
| CN-103271321-B | Thiols as flavoring ingredient | 弗门尼舍有限公司 | 2018-04-20 | — | — | CN | disclosed |
| US-20180055077-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2018-03-01 | — | — | US | disclosed |
| WO-2016056031-A1 | NOVEL DIOL COMPOUNDS SYNTHESIS AND ITS USE FOR FORMAL SYNTHESIS OF (2R, 3 S)-3-HYDROXYPIPECOLIC ACID | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-04-14 | — | — | WO | disclosed |
| US-20130295229-A1 | THIOLS AS FLAVORING INGREDIENT | FIRMENICH SA (CH) | 2013-11-07 | — | — | US | disclosed |
| CN-103271321-A | Thiols as flavoring ingredient | FIRMENICH & CIE | 2013-09-04 | — | — | CN | disclosed |
| US-20130210704-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2013-08-15 | — | — | 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 |
| CN-101171326-A | Thiol flavoring components | FIRMENICH & CIE (CH) | 2008-04-30 | — | — | CN | 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 |