⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27581660 | 0.98 | — | — | |
| SCHEMBL1673128 | 0.71 | — | — | |
| SCHEMBL12075530 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL12598652 | 0.68 | CCR1 (0.37) | — | |
| SCHEMBL12598648 | 0.68 | CCR1 (0.37) | — | |
| SCHEMBL101638 | 0.68 | — | — | |
| SCHEMBL17476685 | 0.67 | TP53 (0.33) | — | |
| SCHEMBL2028396 | 0.67 | ADH5 (0.32) | — | |
| SCHEMBL5347811 | 0.67 | CCR1 (0.30) | — | |
| SCHEMBL28154607 | 0.67 | METAP2 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752349-A | A kind of environmental type priming and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-11-06 | — | — | CN | claimed |
| CN-108752349-A | A kind of environmental type priming and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-11-06 | — | — | CN | disclosed |
| EP-1874303-A1 | PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006114313-A1 | PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2006-11-02 | — | — | WO | disclosed |
| CN-1050382-A | Pyrazole derivatives and preparation method thereof and medicinal compositions | FUJISAWA PHARMACEUTICAL CO (JP) | 1991-04-03 | — | — | CN | disclosed |