⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11267554 | 0.89 | — | — | |
| SCHEMBL11098714 | 0.84 | FAAH (0.30) | — | |
| SCHEMBL9782637 | 0.78 | — | — | |
| SCHEMBL10686402 | 0.75 | — | — | |
| SCHEMBL11220164 | 0.71 | — | — | |
| SCHEMBL10999628 | 0.71 | — | — | |
| SCHEMBL10834080 | 0.70 | — | — | |
| SCHEMBL11248020 | 0.67 | — | — | |
| SCHEMBL9175846 | 0.66 | — | — | |
| SCHEMBL10415358 | 0.66 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57176982-A | — | — | None | — | — | JP | disclosed |
| JP-S57176982-A | DIOXOLANYLAZETIDINONE COMPOUND, ITS PREPARATION AND USE | SHIONOGI & CO LTD | 1982-10-30 | — | — | JP | disclosed |