⚠ 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 | |
|---|---|---|---|---|
| Benzo[D]Isoxazole SCHEMBL27534308 | 0.72 | — | — | |
| SCHEMBL486333 | 0.65 | — | — | |
| SCHEMBL11788115 | 0.62 | — | — | |
| SCHEMBL323252 | 0.62 | — | — | |
| SCHEMBL27348526 | 0.61 | — | — | |
| SCHEMBL8422482 | 0.61 | — | — | |
| SCHEMBL28271180 | 0.59 | ENPP3 (0.31) | — | |
| SCHEMBL5727033 | 0.59 | — | — | |
| SCHEMBL4831725 | 0.57 | — | — | |
| SCHEMBL12473381 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110396089-A | Target compound and the application of kidney type glutaminase allosteric site | HANGZHOU JIANNIFU BIOLOGICAL TECH CO LTD | 2019-11-01 | — | — | CN | claimed |
| CN-110922569-B | Donor-receptor type ultralow band gap conjugated polymer based on imide pyrazine heterocycle and preparation method and application thereof | 东莞伏安光电科技有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-105637347-A | Fluorinated polymer dots | UNIV OF WASHINGTON CENTER FOR COMMERCIALIZATION | 2016-06-01 | — | — | CN | disclosed |