⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL16732687 | 0.97 | — | — | |
| SCHEMBL12814135 | 0.97 | — | — | |
| Water SCHEMBL1490931 | 0.95 | ALDH1A1 (0.31) | — | |
| Water SCHEMBL16343132 | 0.82 | — | — | |
| SCHEMBL7070853 | 0.76 | — | — | |
| SCHEMBL27891492 | 0.65 | — | — | |
| SCHEMBL29054463 | 0.65 | — | — | |
| SCHEMBL28993110 | 0.65 | — | — | |
| SCHEMBL27915266 | 0.61 | — | — | |
| SCHEMBL7811278 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004361-A | Method for synthesizing On-DNA pyrazole compound | 成都先导药物开发股份有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-109666162-A | A kind of energy-absorbing method based on dynamic crosslinking polymer | 翁秋梅 | 2019-04-23 | — | — | CN | disclosed |
| CN-109293567-A | A kind of synthetic method of the bromo- 2- methylnicotinic acid ethyl ester of 5- | 上海睿腾医药科技有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-105968055-B | A kind of preparation method of Arylpyrimidines and its derivative | 中国科学院长春应用化学研究所 | 2018-08-28 | — | — | CN | disclosed |
| CN-106029666-B | [1,2,4] triazolo [1,5-a ] pyrimidine derivatives as protozoan proteasome inhibitors for the treatment of parasitic diseases such as leishmaniasis | 诺华股份有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-106029666-A | [1,2,4] triazolo [1,5-a ] pyrimidine derivatives as protozoan proteasome inhibitors for the treatment of parasitic diseases such as leishmaniasis | 诺华股份有限公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-105968055-A | Preparing method for aryl pyrimidine and derivatives thereof | 中国科学院长春应用化学研究所 | 2016-09-28 | — | — | CN | disclosed |