⚠ 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 | |
|---|---|---|---|---|
| Methyl Carbamate SCHEMBL8952192 | 0.88 | — | — | |
| Methyl Carbamate SCHEMBL28654176 | 0.88 | — | — | |
| Cetyl Alcohol SCHEMBL3929326 | 0.83 | LMNA (0.59) | — | |
| Hexane SCHEMBL27795604 | 0.82 | EPHX1 (0.50) | — | |
| Propanol SCHEMBL27713634 | 0.81 | — | — | |
| Methyl Carbamate SCHEMBL29188589 | 0.81 | — | — | |
| Methyl Carbamate SCHEMBL4140 | 0.80 | — | — | |
| Methyl Carbamate SCHEMBL788713 | 0.80 | ALDH1A1 (0.50) | — | |
| Acetic Acid Methyl Ester SCHEMBL467959 | 0.79 | — | — | |
| Diethanolamine SCHEMBL9587569 | 0.78 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106458866-A | Aminocarbonyl carbamate compound | 爱思开生物制药株式会社 | 2017-02-22 | — | — | CN | disclosed |