⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10761870 | 0.59 | — | — | |
| SCHEMBL9175998 | 0.51 | — | — | |
| SCHEMBL1413229 | 0.46 | GPR35 (0.39) | — | |
| SCHEMBL129408 | 0.43 | — | — | |
| SCHEMBL8428241 | 0.42 | — | — | |
| SCHEMBL12703772 | 0.39 | — | — | |
| SCHEMBL10410186 | 0.39 | — | — | |
| SCHEMBL7633872 | 0.39 | ALDH1A1 (0.61) | — | |
| P-Xylene SCHEMBL9281043 | 0.39 | — | — | |
| SCHEMBL17581120 | 0.37 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1090557-B1 | Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative | QUEST INT (NL) | 2005-09-28 | — | — | EP | claimed |
| US-6716468-B1 | MEAT FLAVORED FOODSTUFF COMPRISING COMBINATION OF AT LEAST ONE COMPOUND WITH (HYDROGENATED) 2-METHYL-3-FURYL-THIO MOIETY AND AT LEAST ONE COMPOUND WITH METHYLTHIO MOIETY | QUEST INTERNATIONAL B.V. (NL) | 2004-04-06 | — | — | US | claimed |
| EP-1090557-A1 | Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative | QUEST INTERNATIONAL B.V. (NL) | 2001-04-11 | — | — | EP | claimed |
| EP-1090557-B1 | Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative | QUEST INT (NL) | 2005-09-28 | — | — | EP | disclosed |
| US-6716468-B1 | MEAT FLAVORED FOODSTUFF COMPRISING COMBINATION OF AT LEAST ONE COMPOUND WITH (HYDROGENATED) 2-METHYL-3-FURYL-THIO MOIETY AND AT LEAST ONE COMPOUND WITH METHYLTHIO MOIETY | QUEST INTERNATIONAL B.V. (NL) | 2004-04-06 | — | — | US | disclosed |
| EP-1090557-A1 | Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative | QUEST INTERNATIONAL B.V. (NL) | 2001-04-11 | — | — | EP | disclosed |