⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15779516 | 0.83 | RIPK1 (0.34) | — | |
| SCHEMBL17048736 | 0.80 | — | — | |
| SCHEMBL17048735 | 0.80 | — | — | |
| SCHEMBL1403613 | 0.78 | — | — | |
| SCHEMBL1403614 | 0.78 | — | — | |
| SCHEMBL4737780 | 0.75 | — | — | |
| SCHEMBL17869078 | 0.73 | OPRM1 (0.37) | — | |
| SCHEMBL4737134 | 0.73 | MEN1 (0.36) | — | |
| SCHEMBL20487873 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL25415040 | 0.72 | — | — |
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-20100069350-A1 | New Pyridine Analogues III | ASTRAZENECA AB (SE) | 2010-03-18 | — | — | US | disclosed |
| EP-2044050-A1 | NEW PYRIDINE ANALOGUES | Astra Zeneca AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| US-20080039437-A1 | New Pyridine Analogues III | ASTRAZENECA AB (SE) | 2008-02-14 | — | — | US | disclosed |
| WO-2008004946-A1 | NEW PYRIDINE ANALOGUES | ASTRAZENECA AB (SE) | 2008-01-10 | — | — | WO | disclosed |