⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2584566 | 0.70 | — | — | |
| SCHEMBL3512841 | 0.70 | — | — | |
| SCHEMBL9607828 | 0.67 | — | — | |
| SCHEMBL17183721 | 0.67 | — | — | |
| SCHEMBL5075416 | 0.66 | — | — | |
| SCHEMBL554945 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL8767650 | 0.65 | GRIK1 (0.34) | — | |
| SCHEMBL19480684 | 0.65 | CA1 (0.34) | — | |
| SCHEMBL554943 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL4453091 | 0.65 | TSHR (0.33) | — |
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-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 |