⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2994954 | 1.00 | — | — | |
| Ethylene SCHEMBL25230472 | 0.94 | — | — | |
| SCHEMBL4454652 | 0.81 | — | — | |
| SCHEMBL12731495 | 0.69 | CA2 (0.37) | — | |
| SCHEMBL7492315 | 0.69 | — | — | |
| SCHEMBL5156240 | 0.69 | — | — | |
| SCHEMBL5156407 | 0.69 | — | — | |
| SCHEMBL7785427 | 0.69 | — | — | |
| SCHEMBL1760834 | 0.69 | — | — | |
| SCHEMBL230577 | 0.69 | — | — |
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-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100069417-A1 | NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |