⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23020684 | 0.79 | PNMT (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL22999944 | 0.70 | KDM1A (0.39) | — | |
| SCHEMBL4649926 | 0.69 | — | — | |
| SCHEMBL17846582 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL3728363 | 0.65 | — | — | |
| SCHEMBL17078073 | 0.64 | PIM1 (0.38) | — | |
| Bromide SCHEMBL3726636 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL29192027 | 0.63 | KDM1A (0.39) | — | |
| SCHEMBL1360201 | 0.63 | — | — | |
| SCHEMBL10261945 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904479-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |