⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6120969 | 0.82 | — | — | |
| SCHEMBL2302859 | 0.82 | CHRNA1 (0.34) | — | |
| SCHEMBL12615184 | 0.82 | SLC6A2 (0.40) | — | |
| SCHEMBL4063849 | 0.82 | KDM1A (0.33) | — | |
| SCHEMBL26968200 | 0.82 | S1PR1 (0.33) | — | |
| SCHEMBL16346007 | 0.82 | S1PR1 (0.39) | — | |
| SCHEMBL6865041 | 0.82 | VCP (0.38) | — | |
| SCHEMBL6443265 | 0.77 | MAPT (0.48) | — | |
| SCHEMBL6120912 | 0.75 | RXRA (0.34) | — | |
| SCHEMBL22590138 | 0.75 | CYP2A6 (0.40) | — |
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-2003055479-A1 | COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2003-07-10 | — | — | WO | disclosed |