⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2156474 | 1.00 | — | — | |
| SCHEMBL9176055 | 1.00 | — | — | |
| SCHEMBL2156236 | 0.75 | — | — | |
| SCHEMBL2156244 | 0.75 | — | — | |
| SCHEMBL1846260 | 0.75 | — | — | |
| SCHEMBL9232151 | 0.75 | ADRB2 (0.35) | — | |
| SCHEMBL9232156 | 0.75 | ADRB2 (0.35) | — | |
| SCHEMBL9232143 | 0.75 | ADRB2 (0.35) | — | |
| SCHEMBL1846261 | 0.75 | — | — | |
| SCHEMBL9232154 | 0.72 | ANPEP (0.38) | — |
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 4 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 |
| EP-2323974-A1 | METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO | Ube Industries, Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010022001-A1 | METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO | IM&T RESEARCH, INC. (US) | 2010-02-25 | — | — | WO | 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 |