⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19100153 | 0.97 | — | — | |
| SCHEMBL841786 | 0.89 | — | — | |
| SCHEMBL1059967 | 0.77 | — | — | |
| SCHEMBL8065 | 0.69 | — | — | |
| SCHEMBL23141888 | 0.69 | — | — | |
| SCHEMBL3542479 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3550117 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3547748 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3543906 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3542336 | 0.69 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103947645-B | 1-(pyridin-3-yl)-pyrazoles and 1-(pyrimidine-5-base)-pyrazoles as insecticide | 拜尔农作物科学股份公司 | 2016-07-06 | — | — | CN | disclosed |