⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27712187 | 0.96 | ALDH1A1 (0.53) | — | |
| Acetic Acid SCHEMBL1635514 | 0.92 | — | — | |
| SCHEMBL27553773 | 0.91 | ALDH1A1 (0.54) | — | |
| SCHEMBL37752 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL31169134 | 0.88 | ALDH1A1 (0.77) | — | |
| SCHEMBL7045611 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL4194049 | 0.87 | — | — | |
| Bicarbonate SCHEMBL7192999 | 0.87 | — | — | |
| SCHEMBL6528410 | 0.87 | — | — | |
| SCHEMBL18154634 | 0.87 | — | — |
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-101130507-A | Process for purifying carbamic acid ester | SHANXI COAL CHEM INST (CN) | 2008-02-27 | — | — | CN | disclosed |