⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24244862 | 0.79 | TSHR (1.00) | — | |
| SCHEMBL917149 | 0.79 | TSHR (0.71) | — | |
| SCHEMBL423954 | 0.77 | — | — | |
| SCHEMBL20756150 | 0.75 | — | — | |
| SCHEMBL1930349 | 0.75 | TSHR (0.65) | — | |
| SCHEMBL24907147 | 0.75 | — | — | |
| SCHEMBL8107 | 0.74 | KDM4E (0.71) | — | |
| SCHEMBL5100639 | 0.74 | — | — | |
| SCHEMBL2376735 | 0.73 | — | — | |
| SCHEMBL18734790 | 0.73 | TSHR (0.62) | — |
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-20080200448-A1 | reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate | ASTRAZENECA AB (SE) | 2008-08-21 | — | — | US | claimed |
| WO-2008085119-A1 | NEW PYRIDINE ANALOGUES VIII 518 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | WO | claimed |
| US-20080200448-A1 | reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate | ASTRAZENECA AB (SE) | 2008-08-21 | — | — | US | disclosed |
| WO-2008085119-A1 | NEW PYRIDINE ANALOGUES VIII 518 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | WO | disclosed |