⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14015817 | 0.78 | — | — | |
| SCHEMBL2917917 | 0.78 | — | — | |
| SCHEMBL13069409 | 0.75 | HDAC8 (0.36) | — | |
| SCHEMBL10112503 | 0.75 | — | — | |
| SCHEMBL685399 | 0.74 | — | — | |
| SCHEMBL18365472 | 0.74 | — | — | |
| SCHEMBL1425866 | 0.74 | — | — | |
| SCHEMBL7929259 | 0.74 | — | — | |
| SCHEMBL12681632 | 0.74 | — | — | |
| SCHEMBL10104035 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2487178-A1 | PYRAZOLOTHIAZOLE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2012-08-15 | — | — | EP | disclosed |