⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8664625 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL38932 | 0.97 | — | — | |
| SCHEMBL29162953 | 0.94 | — | — | |
| SCHEMBL27899756 | 0.94 | — | — | |
| SCHEMBL27529114 | 0.94 | — | — | |
| SCHEMBL979789 | 0.94 | — | — | |
| SCHEMBL7518615 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10884378 | 0.94 | — | — | |
| Ethylene Glycol SCHEMBL7632620 | 0.94 | TSHR (0.42) | — | |
| SCHEMBL7090452 | 0.91 | TSHR (0.40) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518966-B2 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| EP-2185553-B1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20110124677-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2011-05-26 | — | — | US | disclosed |
| US-7902221-B2 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| CN-101395154-B | 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists | THERAVANCE INC | 2011-01-19 | — | — | CN | disclosed |
| EP-2185553-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| CN-101395154-A | 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists | THERAVANCE INC (US) | 2009-03-25 | — | — | CN | disclosed |
| US-20090062335-A1 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. | 2009-03-05 | — | — | US | disclosed |
| WO-2009029252-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-03-05 | — | — | WO | disclosed |