⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7363051 | 0.59 | ALOX5 (0.38) | — | |
| SCHEMBL5822878 | 0.56 | SLC2A1 (0.37) | — | |
| SCHEMBL9767231 | 0.55 | — | — | |
| SCHEMBL18585106 | 0.55 | AKT1 (0.44) | — | |
| SCHEMBL471971 | 0.52 | — | — | |
| SCHEMBL28914532 | 0.51 | — | — | |
| Fluoride SCHEMBL27855665 | 0.51 | — | — | |
| Oxirane SCHEMBL8723692 | 0.49 | HSD17B10 (0.30) | — | |
| SCHEMBL28626873 | 0.49 | — | — | |
| SCHEMBL1080686 | 0.49 | — | — |
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-5169963-A | Di-(5-hydroxy-2(5H)2-oxo-4-furyl)alkylmethyl-alpha,omega alkanedioates and N,N-bis-(5-hydroxy-2(5H)2-oxo-4-furyl)alkylmethyl-alpha,omega-dialkanoic acid amides as anti-inflammatory agents | ALLERGAN, INC. (US) | 1992-12-08 | — | — | US | disclosed |