⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2855029 | 0.72 | PDPK1 (0.43) | — | |
| SCHEMBL9107638 | 0.71 | NR1H2 (0.38) | — | |
| SCHEMBL24500533 | 0.55 | PDPK1 (0.35) | — | |
| SCHEMBL28565 | 0.48 | — | — | |
| Urea SCHEMBL51851 | 0.47 | CYP1A2 (0.50) | — | |
| Urea SCHEMBL10914180 | 0.47 | CYP1A2 (0.50) | — | |
| Urea SCHEMBL15483993 | 0.47 | CYP1A2 (0.50) | — | |
| Carbamic Acid SCHEMBL21315591 | 0.46 | CYP1A2 (0.55) | — | |
| Urea SCHEMBL3812569 | 0.45 | — | — | |
| SCHEMBL27636065 | 0.45 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7812041-B2 | Heterocyclic NF-κB inhibitors | 4SC AG (DE) | 2010-10-12 | — | — | US | disclosed |
| US-20100048583-A1 | Novel Heterocyclic NF-kB Inhibitors | 4SC AG (DE) | 2010-02-25 | — | — | US | disclosed |
| US-20080261971-A1 | Novel Heterocyclic Nf-Kb Inhibitors | 4SC AG (DE) | 2008-10-23 | — | — | US | disclosed |
| US-20060069102-A1 | Novel heterocyclic NF-kB inhibitors | 4 SC AG (DE) | 2006-03-30 | — | — | US | disclosed |