⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5648545 | 0.77 | MAPT (0.36) | — | |
| SCHEMBL5649734 | 0.74 | F2 (0.41) | — | |
| SCHEMBL5648484 | 0.73 | P2RX7 (0.37) | — | |
| SCHEMBL5650058 | 0.73 | L3MBTL1 (0.42) | — | |
| SCHEMBL5647632 | 0.72 | PTGS2 (0.34) | — | |
| SCHEMBL5650072 | 0.71 | MTNR1B (0.41) | — | |
| SCHEMBL5648938 | 0.71 | SLC22A12 (0.38) | — | |
| SCHEMBL5648163 | 0.71 | OPRK1 (0.40) | — | |
| SCHEMBL5653789 | 0.71 | MME (0.39) | — | |
| SCHEMBL5649537 | 0.70 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070161643-A1 | Pyridin-2-one compounds useful as inhibitors of thrombin | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | disclosed |