⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4921997 | 0.84 | — | — | |
| SCHEMBL4914103 | 0.82 | NR5A1 (0.34) | — | |
| SCHEMBL4920262 | 0.76 | — | — | |
| SCHEMBL4724372 | 0.62 | — | — | |
| SCHEMBL4722769 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL29040963 | 0.57 | NQO1 (0.30) | — | |
| SCHEMBL4919869 | 0.54 | — | — | |
| SCHEMBL4593264 | 0.54 | — | — | |
| SCHEMBL9163551 | 0.54 | — | — | |
| SCHEMBL1053157 | 0.52 | — | — |
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-20080200475-A1 | 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors | PFIZER INC. | 2008-08-21 | — | — | US | disclosed |