⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3757157 | 0.79 | — | — | |
| SCHEMBL10894863 | 0.78 | — | — | |
| SCHEMBL291550 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL230054 | 0.75 | — | — | |
| SCHEMBL11149370 | 0.75 | — | — | |
| SCHEMBL4611078 | 0.75 | — | — | |
| SCHEMBL4611710 | 0.75 | — | — | |
| SCHEMBL291553 | 0.75 | — | — | |
| SCHEMBL5492208 | 0.73 | — | — | |
| SCHEMBL11052245 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0108547-A2 | Process for the preparation of the 1'-ethoxycarbonyloxyethyl ester of benzylpenicillin | ASTRA LAKEMEDEL AKTIEBOLAG (SE) | 1984-05-16 | — | — | EP | disclosed |