⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5498339 | 0.69 | — | — | |
| SCHEMBL1402671 | 0.64 | — | — | |
| SCHEMBL19301248 | 0.62 | — | — | |
| SCHEMBL19301247 | 0.62 | — | — | |
| SCHEMBL13126356 | 0.60 | — | — | |
| SCHEMBL2327010 | 0.60 | — | — | |
| SCHEMBL13864489 | 0.59 | — | — | |
| SCHEMBL14724502 | 0.58 | — | — | |
| SCHEMBL13207473 | 0.58 | NOS1 (0.33) | — | |
| SCHEMBL14148788 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1170295-B1 | Thiocarbonates as flavour precursors | QUEST INT (NL) | 2007-12-19 | — | — | EP | disclosed |
| US-6852350-B2 | Flavor precursors | FITZ WOLFGANG (NL) | 2005-02-08 | — | — | US | disclosed |
| US-20020037349-A1 | Flavour precursors | FITZ WOLFGANG (NL) | 2002-03-28 | — | — | US | disclosed |
| EP-1170295-A1 | Thiocarbonates as flavour precursors | QUEST INTERNATIONAL NEDERLAND BV (NL) | 2002-01-09 | — | — | EP | disclosed |
| US-3978240-A | FLAVORING | LEVER BROTHERS COMPANY (US) | 1976-08-31 | — | — | US | disclosed |