⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35764 | 0.92 | — | — | |
| SCHEMBL5605471 | 0.87 | ALDH1A1 (0.42) | — | |
| SCHEMBL27693992 | 0.83 | ALDH1A1 (0.62) | — | |
| Propionic Acid SCHEMBL28869009 | 0.81 | — | — | |
| Alcohol SCHEMBL5609329 | 0.80 | — | — | |
| SCHEMBL1332091 | 0.78 | — | — | |
| SCHEMBL6004144 | 0.78 | — | — | |
| SCHEMBL9818733 | 0.78 | — | — | |
| SCHEMBL35161 | 0.78 | — | — | |
| SCHEMBL28894528 | 0.74 | — | — |
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-4151309-A | FOODS, CHEWING GUM, DENTIFRICES, DRUGS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-24 | — | — | US | disclosed |