⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2156236 | 1.00 | — | — | |
| SCHEMBL1847658 | 0.75 | — | — | |
| SCHEMBL2156474 | 0.75 | — | — | |
| SCHEMBL9176055 | 0.75 | — | — | |
| SCHEMBL16085020 | 0.73 | — | — | |
| SCHEMBL7909814 | 0.72 | TRPA1 (0.45) | — | |
| SCHEMBL3418051 | 0.72 | — | — | |
| SCHEMBL7909998 | 0.72 | TRPA1 (0.45) | — | |
| SCHEMBL12519251 | 0.72 | — | — | |
| SCHEMBL7124752 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973082-B2 | Substituted aryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2011-07-05 | — | — | US | disclosed |
| US-20090215905-A1 | Novel substituted aryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors | ANIONA APS (DK) | 2009-08-27 | — | — | US | disclosed |
| US-20090023772-A1 | Novel substituted heteroaryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2009-01-22 | — | — | US | disclosed |