⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6803552 | 0.81 | HMGCR (0.32) | — | |
| SCHEMBL6803312 | 0.79 | — | — | |
| SCHEMBL28847930 | 0.69 | — | — | |
| SCHEMBL715360 | 0.66 | — | — | |
| SCHEMBL21986513 | 0.66 | — | — | |
| SCHEMBL30754365 | 0.66 | — | — | |
| SCHEMBL6565906 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL6553348 | 0.65 | — | — | |
| SCHEMBL111353 | 0.64 | ALDH1A1 (0.47) | — | |
| SCHEMBL180548 | 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 3 patents. 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 |
| EP-1171556-A1 | FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM | THE PROCTER & GAMBLE COMPANY (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000063329-A1 | FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-26 | — | — | WO | disclosed |