⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL692511 | 0.83 | ACE2 (0.48) | — | |
| SCHEMBL11303854 | 0.81 | ACE2 (0.52) | — | |
| SCHEMBL9514194 | 0.81 | ACE2 (0.52) | — | |
| SCHEMBL1243651 | 0.78 | — | — | |
| SCHEMBL4974133 | 0.77 | — | — | |
| SCHEMBL17024432 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL9359301 | 0.74 | ACE2 (0.44) | — | |
| SCHEMBL9355883 | 0.74 | ACE2 (0.44) | — | |
| SCHEMBL9355813 | 0.74 | ACE2 (0.44) | — | |
| SCHEMBL9355726 | 0.74 | ACE2 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330254-B1 | ALKYL (3-METHYLTHIO)-BUTYRATES, AS WELL AS FLAVOUR COMPOSITIONS AND FLAVOURED FOODSTUFFS AND STIMULANTS CONTAINING ONE OR MORE OF THESE COMPOUNDS AS FLAVOUR COMPONENT | NAARDEN INTERNATIONAL N.V. (NL) | 1991-11-27 | — | — | EP | disclosed |
| US-5047256-A | Flavoring with alkyl (3-methylthio)-butyrates | NAARDEN INTERNATIONAL N.V. (NL) | 1991-09-10 | — | — | US | disclosed |
| EP-0330254-A1 | Alkyl (3-methylthio)-butyrates, as well as flavour compositions and flavoured foodstuffs and stimulants containing one or more of these compounds as flavour component | NAARDEN INTERNATIONAL N.V. (NL) | 1989-08-30 | — | — | EP | disclosed |