⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL300005 | 0.96 | — | — | |
| Bromide SCHEMBL2831527 | 0.90 | — | — | |
| Iodide SCHEMBL2830952 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL2831853 | 0.90 | — | — | |
| SCHEMBL294768 | 0.89 | — | — | |
| SCHEMBL17332118 | 0.86 | — | — | |
| SCHEMBL2462192 | 0.86 | — | — | |
| SCHEMBL8665593 | 0.82 | — | — | |
| SCHEMBL301833 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL22518711 | 0.78 | — | — |
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-7772419-B2 | Carbonylation of ester | LUCITE INTERNATIONAL UK LTD. (GB) | 2010-08-10 | — | — | US | disclosed |