⚠ 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 | |
|---|---|---|---|---|
| Thymine SCHEMBL4152636 | 0.76 | — | — | |
| SCHEMBL65897 | 0.76 | — | — | |
| SCHEMBL27533747 | 0.76 | — | — | |
| SCHEMBL27720229 | 0.73 | CYP1A2 (0.37) | — | |
| SCHEMBL940981 | 0.72 | GAA (0.33) | — | |
| SCHEMBL9147903 | 0.62 | — | — | |
| SCHEMBL8624635 | 0.60 | — | — | |
| Uracil SCHEMBL80962 | 0.60 | — | — | |
| SCHEMBL5143009 | 0.60 | — | — | |
| SCHEMBL3292019 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090270350-A1 | Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives | PFIZER INC. | 2009-10-29 | — | — | US | disclosed |
| EP-1987022-A1 | PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES | Pfizer Products Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007091176-A1 | PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2007-08-16 | — | — | WO | disclosed |