⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10898009 | 0.69 | — | — | |
| SCHEMBL9016146 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL11179910 | 0.67 | — | — | |
| SCHEMBL7663219 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2564365 | 0.66 | — | — | |
| SCHEMBL1226339 | 0.65 | — | — | |
| SCHEMBL862199 | 0.65 | — | — | |
| Bromide SCHEMBL28470117 | 0.65 | — | — | |
| SCHEMBL379908 | 0.65 | — | — | |
| SCHEMBL4529719 | 0.63 | — | — |
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-1558598-A1 | TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA | Pfizer Limited (GB) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004037809-A1 | TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA | PFIZER LIMITED (GB) | 2004-05-06 | — | — | WO | disclosed |