⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19301248 | 0.69 | — | — | |
| SCHEMBL19301247 | 0.69 | — | — | |
| SCHEMBL576823 | 0.69 | — | — | |
| SCHEMBL11050966 | 0.69 | — | — | |
| SCHEMBL5499211 | 0.69 | — | — | |
| SCHEMBL13864489 | 0.66 | — | — | |
| SCHEMBL14140837 | 0.61 | — | — | |
| SCHEMBL1402566 | 0.61 | — | — | |
| SCHEMBL14038199 | 0.61 | — | — | |
| SCHEMBL9933678 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9873691-B2 | TRPV1 antagonists including dihydroxy substituent and uses thereof | PURDUE PHARMA L.P. (US) | 2018-01-23 | — | — | US | disclosed |
| 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 |