⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7403471 | 0.91 | — | — | |
| SCHEMBL7408025 | 0.85 | JAK2 (0.33) | — | |
| SCHEMBL7415100 | 0.85 | CHRNB2 (0.31) | — | |
| SCHEMBL7404728 | 0.82 | SLC6A2 (0.31) | — | |
| SCHEMBL7413981 | 0.81 | ABL1 (0.32) | — | |
| SCHEMBL7412863 | 0.81 | — | — | |
| SCHEMBL7411624 | 0.81 | — | — | |
| SCHEMBL7410997 | 0.81 | SLC6A3 (0.30) | — | |
| SCHEMBL8508960 | 0.80 | SLC6A3 (0.34) | — | |
| SCHEMBL7409594 | 0.80 | SLC6A3 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |