Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Acetonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28016755 | 0.88 | — | — | |
| Acetonitrile SCHEMBL15638047 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28297764 | 0.88 | — | — | |
| Acetonitrile SCHEMBL18838615 | 0.88 | — | — | |
| Acetonitrile SCHEMBL29048354 | 0.88 | — | — | |
| Acetonitrile SCHEMBL9171798 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28167266 | 0.88 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.87 | TSHR (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107039190-B | A kind of dye-sensitized solar cells comprising titanium dioxide hollow ball structure | 沛县国源光伏电力有限公司 | 2019-01-22 | — | — | CN | claimed |
| CN-107039190-A | A kind of DSSC for including titanium dioxide hollow ball structure | 上海为然环保科技有限公司 | 2017-08-11 | — | — | CN | claimed |
| CN-117673646-A | Preparation method of biphase composite diaphragm for zinc-iodine battery and assembly method of zinc-iodine battery | 中南大学 | 2024-03-08 | — | — | CN | disclosed |
| CN-109987365-A | A kind of garbage collection clearing and transporting vehicle | 杨月珍 | 2019-07-09 | — | — | CN | disclosed |
| CN-106952732-B | Laminated film dye-sensitized solar cells and preparation method thereof | 南京禹智智能科技有限公司 | 2019-04-12 | — | — | CN | disclosed |
| CN-107039190-B | A kind of dye-sensitized solar cells comprising titanium dioxide hollow ball structure | 沛县国源光伏电力有限公司 | 2019-01-22 | — | — | CN | disclosed |
| CN-109003822-A | Dye-sensitized solar cells based on titanium dioxide core shell particles light anode | 欧陈珍 | 2018-12-14 | — | — | CN | disclosed |
| CN-108826546-A | A kind of freezer infant industry air-cooler | 江燕婷 | 2018-11-16 | — | — | CN | disclosed |