⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6798142 | 0.79 | — | — | |
| SCHEMBL230817 | 0.69 | — | — | |
| SCHEMBL6796632 | 0.69 | — | — | |
| SCHEMBL6803057 | 0.69 | — | — | |
| SCHEMBL13640445 | 0.66 | — | — | |
| SCHEMBL26649178 | 0.66 | — | — | |
| SCHEMBL15133407 | 0.65 | MAPT (0.55) | — | |
| SCHEMBL6791148 | 0.63 | — | — | |
| SCHEMBL17836882 | 0.62 | — | — | |
| SCHEMBL4874297 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040067870-A1 | Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom | THE PROCTER & GAMBLE COMPANY | 2004-04-08 | — | — | US | disclosed |