⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL351596 | 0.84 | — | — | |
| SCHEMBL765701 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL17458 | 0.71 | — | — | |
| SCHEMBL11525280 | 0.71 | KDM1A (0.38) | — | |
| SCHEMBL665282 | 0.71 | KDM1A (0.38) | — | |
| SCHEMBL530404 | 0.71 | KDM1A (0.38) | — | |
| SCHEMBL27381972 | 0.71 | KDM1A (0.38) | — | |
| Hydrochloric Acid SCHEMBL15549019 | 0.70 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL18550578 | 0.70 | GAA (0.31) | — | |
| Hydrochloric Acid SCHEMBL8308713 | 0.68 | — | — |
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 |