⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269793 | 0.72 | — | — | |
| SCHEMBL27920519 | 0.69 | — | — | |
| SCHEMBL28655986 | 0.67 | — | — | |
| SCHEMBL16978739 | 0.67 | — | — | |
| SCHEMBL15402029 | 0.62 | — | — | |
| SCHEMBL9168093 | 0.61 | — | — | |
| SCHEMBL9316184 | 0.61 | — | — | |
| SCHEMBL15402472 | 0.60 | — | — | |
| SCHEMBL20744 | 0.59 | — | — | |
| SCHEMBL17812837 | 0.59 | TP53 (0.32) | — |
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-1912946-B1 | PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS | LILLY CO ELI (US) | 2009-05-27 | — | — | EP | disclosed |