⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11343451 | 0.71 | — | — | |
| SCHEMBL3716058 | 0.69 | — | — | |
| SCHEMBL109814 | 0.69 | — | — | |
| SCHEMBL15403509 | 0.67 | — | — | |
| SCHEMBL1991255 | 0.65 | — | — | |
| SCHEMBL8029608 | 0.65 | — | — | |
| SCHEMBL2070403 | 0.65 | — | — | |
| SCHEMBL652993 | 0.65 | — | — | |
| SCHEMBL16564438 | 0.65 | — | — | |
| SCHEMBL2816011 | 0.63 | — | — |
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-0233341-A1 | 5-Heterocyclyl-1-aryl-pyrazole | BAYER AG (DE) | 1987-08-26 | — | — | EP | disclosed |