⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3639631 | 0.74 | — | — | |
| SCHEMBL9716208 | 0.72 | GPR84 (0.32) | — | |
| SCHEMBL602237 | 0.70 | CA2 (0.41) | — | |
| SCHEMBL11071521 | 0.68 | — | — | |
| SCHEMBL600108 | 0.68 | — | — | |
| SCHEMBL6270076 | 0.68 | — | — | |
| SCHEMBL13678716 | 0.67 | GPR84 (0.33) | — | |
| SCHEMBL11599623 | 0.65 | PDE4A (0.34) | — | |
| SCHEMBL2158372 | 0.65 | — | — | |
| SCHEMBL15923138 | 0.65 | ALDH1A1 (0.32) | — |
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-2420500-A1 | PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION | aRigen Pharmaceuticals, Inc. (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-20120041030-A1 | PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION | LINK GENOMICS, INC. (JP) | 2012-02-16 | — | — | US | disclosed |