⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL626163 | 0.82 | HSD11B1 (0.32) | — | |
| SCHEMBL2250793 | 0.81 | DYRK1A (0.32) | — | |
| SCHEMBL626146 | 0.74 | — | — | |
| SCHEMBL13152990 | 0.65 | — | — | |
| SCHEMBL625461 | 0.64 | FYN (0.33) | — | |
| SCHEMBL625010 | 0.62 | HSD11B1 (0.35) | — | |
| SCHEMBL625009 | 0.60 | HSD11B1 (0.31) | — | |
| SCHEMBL424469 | 0.58 | KMT2A (0.43) | — | |
| SCHEMBL1059038 | 0.57 | ASGR1 (0.39) | — | |
| SCHEMBL16770070 | 0.57 | KDM4E (0.36) | — |
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 |