⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22401631 | 1.00 | — | — | |
| SCHEMBL22401634 | 1.00 | — | — | |
| SCHEMBL20774152 | 1.00 | — | — | |
| SCHEMBL2421973 | 1.00 | — | — | |
| SCHEMBL8068986 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL8066787 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL25243423 | 0.84 | — | — | |
| SCHEMBL436900 | 0.84 | — | — | |
| SCHEMBL20357790 | 0.82 | LMNA (0.35) | — | |
| SCHEMBL20357691 | 0.82 | MEN1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882016-A1 | ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997028121-A1 | ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-08-07 | — | — | WO | disclosed |