⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891337 | 0.89 | — | — | |
| SCHEMBL11971993 | 0.89 | — | — | |
| SCHEMBL4819264 | 0.89 | — | — | |
| Formaldehyde SCHEMBL27818408 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL16568696 | 0.85 | — | — | |
| SCHEMBL27946314 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL11650269 | 0.75 | — | — | |
| SCHEMBL11372911 | 0.72 | — | — | |
| SCHEMBL20212044 | 0.71 | — | — | |
| SCHEMBL28281219 | 0.69 | — | — |
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-4234518-A | Ketones and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-11-18 | — | — | US | claimed |