⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL463853 | 0.87 | CCNA2 (0.31) | — | |
| SCHEMBL463794 | 0.83 | — | — | |
| SCHEMBL415955 | 0.81 | PLK4 (0.34) | — | |
| SCHEMBL463864 | 0.80 | BMPR2 (0.31) | — | |
| SCHEMBL15338773 | 0.79 | — | — | |
| SCHEMBL463802 | 0.75 | GHSR (0.38) | — | |
| SCHEMBL10258468 | 0.72 | PLK4 (0.43) | — | |
| SCHEMBL414407 | 0.71 | CCNA2 (0.31) | — | |
| SCHEMBL10266896 | 0.69 | F7 (0.33) | — | |
| SCHEMBL463838 | 0.68 | JAK2 (0.30) | — |
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-8394955-B2 | 2,4 (4,6) pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2013-03-12 | — | — | US | disclosed |
| US-20120065395-A1 | 2,4 (4,6) PYRIMIDINE DERIVATIVES | FREYNE EDDY JEAN EDGARD (BE) | 2012-03-15 | — | — | US | disclosed |