⚠ 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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL27295629 | 0.59 | — | — | |
| SCHEMBL4968103 | 0.56 | — | — | |
| Ethyl Chloride SCHEMBL1331853 | 0.54 | — | — | |
| Ethyl Chloride SCHEMBL20021 | 0.54 | — | — | |
| Ethyl Chloride SCHEMBL1331994 | 0.54 | — | — | |
| Ethyl Chloride SCHEMBL1127611 | 0.54 | — | — | |
| Ethyl Chloride SCHEMBL1331389 | 0.54 | — | — | |
| SCHEMBL179703 | 0.54 | — | — | |
| Propane SCHEMBL10639899 | 0.54 | — | — | |
| Ethyl Chloride SCHEMBL8872436 | 0.54 | — | — |
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-0055933-A2 | 6-(2-Aryl-2-(1,1-dioxopenicillanoyloxy-methoxycarbonyl)acetamido) Penicillanic acids | PFIZER INC. (US) | 1982-07-14 | — | — | EP | disclosed |