⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7162586 | 0.85 | — | — | |
| SCHEMBL374937 | 0.75 | — | — | |
| SCHEMBL375563 | 0.72 | — | — | |
| SCHEMBL565416 | 0.69 | — | — | |
| SCHEMBL3465700 | 0.65 | — | — | |
| SCHEMBL6341441 | 0.65 | — | — | |
| SCHEMBL565367 | 0.63 | CYP11B1 (0.33) | — | |
| SCHEMBL21315421 | 0.62 | KCNH2 (0.36) | — | |
| SCHEMBL465050 | 0.61 | — | — | |
| SCHEMBL3540791 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012122171-A1 | HERBICIDAL BIS-NITROGEN-CONTAINING OXO HETEROCYCLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-09-13 | — | — | WO | disclosed |
| 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 |
| US-20100035907-A1 | NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-02-11 | — | — | US | disclosed |
| US-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | US | disclosed |