⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2265669 | 0.80 | — | — | |
| SCHEMBL489455 | 0.80 | — | — | |
| SCHEMBL2788493 | 0.80 | — | — | |
| SCHEMBL4932949 | 0.74 | — | — | |
| SCHEMBL5163698 | 0.71 | CHRNA3 (0.32) | — | |
| SCHEMBL3009 | 0.68 | — | — | |
| SCHEMBL4933677 | 0.63 | — | — | |
| SCHEMBL18687 | 0.59 | — | — | |
| SCHEMBL384800 | 0.58 | — | — | |
| SCHEMBL385765 | 0.58 | — | — |
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-1762568-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-14 | — | — | EP | disclosed |