⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9692951 | 0.75 | — | — | |
| SCHEMBL4802079 | 0.75 | — | — | |
| SCHEMBL4805256 | 0.75 | — | — | |
| SCHEMBL4806683 | 0.71 | — | — | |
| SCHEMBL28398813 | 0.71 | — | — | |
| SCHEMBL21295617 | 0.71 | ESR1 (0.42) | — | |
| SCHEMBL21295754 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL21295978 | 0.65 | KDM4E (0.50) | — | |
| SCHEMBL28583818 | 0.65 | HDAC3 (0.45) | — | |
| SCHEMBL3472689 | 0.64 | CYP2A6 (0.48) | — |
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-7417064-B2 | 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake | ELI LILLY AND COMPANY (US) | 2008-08-26 | — | — | US | disclosed |
| US-20060014779-A1 | 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake | ELI LILLY AND COMPANY (US) | 2006-01-19 | — | — | US | disclosed |
| EP-1587782-A1 | 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE | Eli Lilly and Company (US) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004043904-A1 | 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE | ELI LILLY AND COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |