⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12205519 | 0.59 | — | — | |
| SCHEMBL24052120 | 0.57 | — | — | |
| SCHEMBL9509064 | 0.57 | — | — | |
| SCHEMBL11554365 | 0.57 | — | — | |
| SCHEMBL423025 | 0.55 | — | — | |
| SCHEMBL24168616 | 0.51 | — | — | |
| SCHEMBL10634972 | 0.48 | — | — | |
| SCHEMBL16644946 | 0.48 | — | — | |
| Dimethyl Sulfoxide SCHEMBL2856303 | 0.45 | — | — | |
| Dimethyl Sulfoxide SCHEMBL3409 | 0.45 | — | — |
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-0127847-A1 | 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives | HOECHST UK LIMITED (GB) | 1984-12-12 | — | — | EP | disclosed |