⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6870307 | 0.75 | — | — | |
| SCHEMBL728772 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL2369254 | 0.69 | — | — | |
| Formic Acid SCHEMBL2968613 | 0.69 | CA12 (0.47) | — | |
| SCHEMBL11033508 | 0.69 | — | — | |
| SCHEMBL13318684 | 0.69 | — | — | |
| SCHEMBL5558515 | 0.67 | — | — | |
| SCHEMBL27310498 | 0.67 | — | — | |
| SCHEMBL18171419 | 0.67 | — | — | |
| SCHEMBL196330 | 0.67 | — | — |
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 11 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 |
| US-8288396-B2 | Pyrimidopyrimidoindazole derivative | MSDKK (JP) | 2012-10-16 | — | — | 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-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | 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 |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | 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 |
| 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 |