⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL338836 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL764889 | 0.74 | — | — | |
| SCHEMBL470363 | 0.72 | — | — | |
| SCHEMBL15710069 | 0.69 | — | — | |
| SCHEMBL1556658 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL5951129 | 0.69 | TSHR (0.43) | — | |
| O-Xylene SCHEMBL8216257 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL10522915 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL11035539 | 0.67 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL11034038 | 0.67 | TSHR (1.00) | — |
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-102083842-A | Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands | LUCITE INT UK LTD | 2011-06-01 | — | — | CN | disclosed |