⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24337191 | 0.78 | — | — | |
| SCHEMBL14423326 | 0.78 | — | — | |
| SCHEMBL20246996 | 0.78 | — | — | |
| SCHEMBL27421555 | 0.73 | — | — | |
| SCHEMBL30968115 | 0.73 | — | — | |
| SCHEMBL22991818 | 0.73 | — | — | |
| SCHEMBL27421547 | 0.69 | CHRM4 (0.32) | — | |
| SCHEMBL27421543 | 0.68 | CHRM1 (0.32) | — | |
| SCHEMBL30967997 | 0.67 | CHRM2 (0.40) | — | |
| SCHEMBL7305562 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |