⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13334523 | 0.87 | FDPS (0.33) | — | |
| SCHEMBL10073146 | 0.74 | LMNA (0.34) | — | |
| SCHEMBL1668785 | 0.67 | FDPS (0.39) | — | |
| SCHEMBL17061029 | 0.66 | — | — | |
| SCHEMBL748440 | 0.66 | — | — | |
| SCHEMBL14217571 | 0.66 | — | — | |
| SCHEMBL28574527 | 0.65 | — | — | |
| SCHEMBL8076384 | 0.64 | — | — | |
| SCHEMBL10073144 | 0.64 | FDPS (0.42) | — | |
| SCHEMBL11768917 | 0.64 | — | — |
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-20100151104-A1 | Preservative System For Beverages Based On Combinations Of Trans-Cinnamic Acid, Lauric Arginate, And Dimethyl Dicarbonate | PEPSICO, INC. (US) | 2010-06-17 | — | — | US | disclosed |