⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18368350 | 0.82 | — | — | |
| SCHEMBL5509634 | 0.78 | DPP4 (0.33) | — | |
| SCHEMBL22210906 | 0.77 | — | — | |
| SCHEMBL14790976 | 0.77 | — | — | |
| SCHEMBL15730442 | 0.76 | — | — | |
| SCHEMBL15730438 | 0.76 | EPHX1 (0.32) | — | |
| SCHEMBL8261249 | 0.76 | — | — | |
| SCHEMBL23229700 | 0.75 | — | — | |
| SCHEMBL5512535 | 0.74 | — | — | |
| SCHEMBL12873547 | 0.73 | — | — |
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-2875021-B1 | BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | UNIV SAINT LOUIS (US) | 2017-08-23 | — | — | EP | disclosed |