⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3939155 | 0.79 | CA12 (0.46) | — | |
| SCHEMBL3932477 | 0.75 | CA12 (0.50) | — | |
| SCHEMBL1632731 | 0.74 | — | — | |
| SCHEMBL3930936 | 0.74 | ZDHHC20 (0.46) | — | |
| SCHEMBL8439312 | 0.72 | — | — | |
| SCHEMBL3933662 | 0.72 | CA1 (0.48) | — | |
| SCHEMBL8426441 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL198757 | 0.67 | — | — | |
| SCHEMBL3939494 | 0.67 | — | — | |
| SCHEMBL210439 | 0.65 | LMNA (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1786792-B1 | THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY | ASTELLAS PHARMA INC (JP) | 2009-04-08 | — | — | EP | disclosed |
| US-20070254931-A1 | Thiazole Derivatives Having Vap-1 Inhibitory Activity | ASTELLAS PHARMA INC. (JP) | 2007-11-01 | — | — | US | disclosed |
| EP-1786792-A2 | THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY | Astellas Pharma Inc. (JP) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006011631-A2 | THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY | ASTELLAS PHARMA INC. (JP) | 2006-02-02 | — | — | WO | disclosed |