⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9766905 | 0.85 | GPR84 (0.31) | — | |
| SCHEMBL7293488 | 0.78 | CA2 (0.39) | — | |
| SCHEMBL9767007 | 0.77 | NR1I2 (0.32) | — | |
| SCHEMBL9677956 | 0.74 | — | — | |
| SCHEMBL7326578 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL9766947 | 0.73 | GPR84 (0.42) | — | |
| SCHEMBL9803456 | 0.72 | GLS2 (0.34) | — | |
| SCHEMBL9745100 | 0.72 | — | — | |
| SCHEMBL9767154 | 0.71 | ALDH2 (0.31) | — | |
| SCHEMBL9744651 | 0.71 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5013850-A | 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents | ALLERGAN, INC. (US) | 1991-05-07 | — | — | US | disclosed |