⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6827263 | 1.00 | — | — | |
| SCHEMBL15142350 | 0.73 | — | — | |
| SCHEMBL979714 | 0.69 | — | — | |
| SCHEMBL1235054 | 0.69 | — | — | |
| SCHEMBL3170665 | 0.69 | — | — | |
| SCHEMBL3180871 | 0.69 | — | — | |
| SCHEMBL1450290 | 0.68 | — | — | |
| SCHEMBL7631831 | 0.68 | — | — | |
| SCHEMBL188748 | 0.68 | — | — | |
| SCHEMBL834839 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040058425-A1 | Crystal structure | PFIZER INC. | 2004-03-25 | — | — | US | disclosed |
| EP-1247860-A1 | Crystal structure of pyruvate dehydrogenase kinase 2 (PDHK-2) and use thereof in methods for identifying and designing new ligands | Pfizer Limited (GB) | 2002-10-09 | — | — | EP | disclosed |