⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL975267 | 1.00 | — | — | |
| SCHEMBL284437 | 0.85 | — | — | |
| SCHEMBL3166529 | 0.83 | — | — | |
| SCHEMBL8533663 | 0.83 | FDPS (0.32) | — | |
| SCHEMBL3158208 | 0.79 | — | — | |
| SCHEMBL4091694 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL9067327 | 0.79 | FDPS (0.31) | — | |
| SCHEMBL8746267 | 0.77 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL21496100 | 0.77 | — | — | |
| SCHEMBL5152889 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1012142-B1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2004-08-11 | — | — | EP | disclosed |
| EP-1012142-A1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | Merck Frosst Canada & Co. (CA) | 2000-06-28 | — | — | EP | disclosed |
| US-6046217-A | TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES | MERCK FROSST CANADA & CO. (CA) | 2000-04-04 | — | — | US | disclosed |
| WO-1999014194-A1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 1999-03-25 | — | — | WO | disclosed |
| US-4604486-A | PINACOL-TYPE REARRANGEMENT OF SOLFONYLOXY ALCOHOLS IN PRESENCE FO ORGANOALUMINUM COMPOUNDS | TOYO STAUFFER CHEMICAL CO., LTD. (JP) | 1986-08-05 | — | — | US | disclosed |