⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28620590 | 0.88 | — | — | |
| SCHEMBL16612448 | 0.75 | — | — | |
| SCHEMBL23067753 | 0.68 | — | — | |
| SCHEMBL17761193 | 0.67 | — | — | |
| SCHEMBL22164050 | 0.63 | SSTR4 (0.32) | — | |
| SCHEMBL17616469 | 0.63 | — | — | |
| SCHEMBL2602810 | 0.63 | — | — | |
| SCHEMBL21585766 | 0.63 | — | — | |
| SCHEMBL15727074 | 0.63 | — | — | |
| SCHEMBL2444590 | 0.63 | — | — |
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-3323814-A1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2018-05-23 | — | — | EP | disclosed |