⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2419065 | 0.67 | GSK3A (0.39) | — | |
| SCHEMBL5722370 | 0.61 | — | — | |
| SCHEMBL12556464 | 0.50 | ALDH1A1 (0.36) | — | |
| SCHEMBL18434863 | 0.50 | — | — | |
| SCHEMBL22553392 | 0.49 | — | — | |
| SCHEMBL19472021 | 0.47 | — | — | |
| SCHEMBL14516225 | 0.47 | — | — | |
| SCHEMBL13442908 | 0.47 | — | — | |
| SCHEMBL13479138 | 0.46 | — | — | |
| SCHEMBL13674931 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097086-A1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | Astrazeneca AB (SE) | 2016-11-30 | — | — | EP | disclosed |
| WO-2015110826-A1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2015-07-30 | — | — | WO | disclosed |