⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7519288 | 0.67 | — | — | |
| SCHEMBL6052821 | 0.67 | — | — | |
| SCHEMBL601772 | 0.61 | — | — | |
| SCHEMBL1148728 | 0.61 | — | — | |
| SCHEMBL6336081 | 0.61 | — | — | |
| SCHEMBL15742588 | 0.61 | — | — | |
| SCHEMBL29452 | 0.61 | — | — | |
| SCHEMBL15742684 | 0.61 | — | — | |
| SCHEMBL9846 | 0.61 | — | — | |
| SCHEMBL3948682 | 0.61 | — | — |
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-1525202-B1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2006-01-11 | — | — | EP | claimed |
| CN-103917535-B | Pyrazole compounds and pharmaceutical use thereof | JAPAN TOBACCO INC | 2015-06-24 | — | — | CN | disclosed |