⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12057003 | 0.75 | — | — | |
| SCHEMBL2095161 | 0.75 | — | — | |
| SCHEMBL936232 | 0.75 | — | — | |
| SCHEMBL625956 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL4945757 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL105383 | 0.67 | — | — | |
| SCHEMBL2021913 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL1402186 | 0.62 | — | — | |
| SCHEMBL361298 | 0.62 | — | — | |
| SCHEMBL12374529 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0668850-B1 | OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE | FIRMENICH & CIE (CH) | 1998-12-09 | — | — | EP | disclosed |
| US-5580996-A | Oxygen-containing aliphatic compounds and their use as intermediates for the preparation of 4-hydroxy-2, 5-dimethyl-3(2H)-furanone | FIRMENICH SA (CH) | 1996-12-03 | — | — | US | disclosed |
| EP-0668850-A1 | OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE | FIRMENICH SA (CH) | 1995-08-30 | — | — | EP | disclosed |
| WO-1995007876-A1 | OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE | FIRMENICH S.A. (CH) | 1995-03-23 | — | — | WO | disclosed |