⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27274951 | 0.78 | — | — | |
| SCHEMBL29067354 | 0.76 | — | — | |
| SCHEMBL9796856 | 0.76 | — | — | |
| SCHEMBL28075296 | 0.74 | — | — | |
| SCHEMBL788973 | 0.73 | TRPV1 (0.30) | — | |
| SCHEMBL9250466 | 0.72 | SQLE (0.34) | — | |
| SCHEMBL30568786 | 0.72 | ACHE (0.42) | — | |
| SCHEMBL28436071 | 0.72 | — | — | |
| SCHEMBL8723394 | 0.70 | — | — | |
| SCHEMBL4108106 | 0.70 | PTPN1 (0.42) | — |
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 7 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 |
| EP-1786778-A1 | NOVEL SUBSTITUTED HETEROARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-05-23 | — | — | EP | disclosed |
| EP-1784381-A1 | NOVEL SUBSTITUTED ARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006021564-A1 | NOVEL SUBSTITUTED ARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2006-03-02 | — | — | WO | disclosed |
| WO-2006021565-A1 | NOVEL SUBSTITUTED HETEROARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2006-03-02 | — | — | WO | disclosed |