⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2100535 | 0.75 | CYP2B6 (0.30) | — | |
| SCHEMBL7048888 | 0.68 | — | — | |
| SCHEMBL518019 | 0.68 | — | — | |
| SCHEMBL8987275 | 0.67 | — | — | |
| SCHEMBL1044754 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL16238627 | 0.66 | — | — | |
| SCHEMBL10006193 | 0.66 | — | — | |
| SCHEMBL1043045 | 0.66 | — | — | |
| SCHEMBL4182918 | 0.65 | — | — | |
| SCHEMBL1515298 | 0.64 | PAX8 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008038011-A1 | PYRIMIDINE DERIVATIVES AS AURORA A AND AURORA B INHIBITORS | VERNALIS (R & D) LIMITED (GB) | 2008-04-03 | — | — | WO | claimed |
| WO-2008038010-A1 | PYRAZINE DERIVATIVES AND THEIR USE IN THERAPY | VERNALIS (R & D) LIMITED (GB) | 2008-04-03 | — | — | WO | claimed |
| WO-2008038010-A1 | PYRAZINE DERIVATIVES AND THEIR USE IN THERAPY | VERNALIS (R & D) LIMITED (GB) | 2008-04-03 | — | — | WO | disclosed |
| WO-2008038011-A1 | PYRIMIDINE DERIVATIVES AS AURORA A AND AURORA B INHIBITORS | VERNALIS (R & D) LIMITED (GB) | 2008-04-03 | — | — | WO | disclosed |