⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10494521 | 0.78 | — | — | |
| SCHEMBL31460554 | 0.71 | — | — | |
| SCHEMBL4559326 | 0.65 | — | — | |
| SCHEMBL5319058 | 0.63 | — | — | |
| SCHEMBL8561046 | 0.60 | — | — | |
| SCHEMBL2795931 | 0.60 | — | — | |
| SCHEMBL6722104 | 0.58 | — | — | |
| SCHEMBL7573032 | 0.58 | — | — | |
| Carbon Tetrachloride SCHEMBL28910750 | 0.57 | — | — | |
| Methylamine SCHEMBL2074503 | 0.56 | — | — |
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-4005216-A | Phenyl carbamate | HOFFMANN-LA ROCHE INC. (US) | 1977-01-25 | — | — | US | disclosed |