⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10701015 | 0.94 | — | — | |
| SCHEMBL10513222 | 0.85 | — | — | |
| SCHEMBL10513226 | 0.85 | — | — | |
| SCHEMBL11839100 | 0.69 | — | — | |
| SCHEMBL11839103 | 0.69 | — | — | |
| SCHEMBL1773146 | 0.67 | — | — | |
| SCHEMBL6551725 | 0.66 | CCR5 (0.34) | — | |
| SCHEMBL496954 | 0.66 | — | — | |
| SCHEMBL5067939 | 0.64 | CCR5 (0.39) | — | |
| SCHEMBL10878350 | 0.58 | — | — |
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-1542980-A1 | 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR | Inotek Pharmaceuticals Corporation (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004009563-A1 | 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR | INOTEK PHARMACEUTICALS CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |