⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4890458 | 0.86 | — | — | |
| SCHEMBL2099826 | 0.76 | MTNR1A (0.34) | — | |
| SCHEMBL2094213 | 0.73 | MTNR1A (0.32) | — | |
| SCHEMBL835245 | 0.73 | — | — | |
| SCHEMBL2095685 | 0.73 | MTNR1A (0.34) | — | |
| SCHEMBL2098472 | 0.71 | MTNR1A (0.33) | — | |
| SCHEMBL16126023 | 0.71 | MTNR1A (0.35) | — | |
| SCHEMBL6824159 | 0.70 | — | — | |
| SCHEMBL18462192 | 0.70 | CES1 (0.50) | — | |
| SCHEMBL2095552 | 0.70 | — | — |
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 |