⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4890457 | 0.85 | — | — | |
| SCHEMBL4894587 | 0.75 | — | — | |
| SCHEMBL7263817 | 0.67 | — | — | |
| SCHEMBL9112425 | 0.67 | — | — | |
| SCHEMBL7263820 | 0.67 | — | — | |
| SCHEMBL764028 | 0.65 | — | — | |
| SCHEMBL4721766 | 0.62 | — | — | |
| SCHEMBL8351090 | 0.60 | — | — | |
| SCHEMBL12854001 | 0.60 | — | — | |
| SCHEMBL13113287 | 0.60 | NOTUM (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 |
|---|---|---|---|---|---|---|---|
| US-20080194590-A1 | 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors | PFIZER INC | 2008-08-14 | — | — | US | disclosed |