⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8508197 | 0.92 | — | — | |
| SCHEMBL7404728 | 0.88 | SLC6A2 (0.31) | — | |
| SCHEMBL8508444 | 0.88 | ACACB (0.32) | — | |
| SCHEMBL7409594 | 0.88 | SLC6A3 (0.32) | — | |
| SCHEMBL7415100 | 0.87 | CHRNB2 (0.31) | — | |
| SCHEMBL8507356 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL7411066 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL8582570 | 0.86 | SLC6A3 (0.32) | — | |
| SCHEMBL8508147 | 0.85 | SLC6A3 (0.31) | — | |
| SCHEMBL7409484 | 0.84 | GPR119 (0.34) | — |
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-0846114-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996040682-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | disclosed |