⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2250793 | 0.88 | DYRK1A (0.32) | — | |
| SCHEMBL626163 | 0.78 | HSD11B1 (0.32) | — | |
| SCHEMBL627112 | 0.77 | F2RL3 (0.34) | — | |
| SCHEMBL626102 | 0.74 | — | — | |
| SCHEMBL625051 | 0.68 | MAP3K12 (0.46) | — | |
| SCHEMBL626147 | 0.68 | GPX4 (0.31) | — | |
| SCHEMBL2257063 | 0.64 | LRRK2 (0.31) | — | |
| SCHEMBL15324840 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL17101604 | 0.61 | PTGDR2 (0.44) | — | |
| SCHEMBL17410808 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020215-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |