⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14895397 | 0.71 | — | — | |
| SCHEMBL4629309 | 0.58 | — | — | |
| SCHEMBL20225725 | 0.47 | PDCD1 (0.46) | — | |
| SCHEMBL4026431 | 0.47 | — | — | |
| SCHEMBL4446045 | 0.46 | — | — | |
| SCHEMBL7208163 | 0.44 | — | — | |
| SCHEMBL7207613 | 0.44 | — | — | |
| SCHEMBL1141552 | 0.44 | — | — | |
| SCHEMBL1864487 | 0.44 | — | — | |
| SCHEMBL1936976 | 0.44 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0840740-B1 | NEW INHIBITORS OF PLATELET AGGREGATION | ASTRAZENECA AB (SE) | 2002-05-02 | — | — | EP | disclosed |
| EP-0996621-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999005143-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1999-02-04 | — | — | WO | disclosed |