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 SCHEMBL15638047 | 0.88 | — | — | |
| Acetonitrile SCHEMBL7066895 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27949872 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28720121 | 0.88 | — | — | |
| Acetonitrile SCHEMBL29070779 | 0.88 | — | — | |
| Acetonitrile SCHEMBL9171798 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28255484 | 0.88 | — | — | |
| Acetonitrile SCHEMBL28297764 | 0.88 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116063899-B | Nano composite coating for packaging material | 安徽省金裕印铁制罐有限公司 | 2023-10-03 | — | — | CN | claimed |
| CN-116297275-A | Peroxide detection method | 江苏恒瑞医药股份有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116063899-A | Nano composite coating for packaging material | 安徽省金裕印铁制罐有限公司 | 2023-05-05 | — | — | CN | claimed |
| CN-110606944-B | Mildew-proof polyester fiber with high washability and preparation method thereof | 安徽深呼吸纺织科技有限公司 | 2021-11-16 | — | — | CN | claimed |
| CN-110606944-A | Mildew-proof polyester fiber with high washability and preparation method thereof | 界首市双鑫纺织有限公司 | 2019-12-24 | — | — | CN | claimed |
| CN-116063899-B | Nano composite coating for packaging material | 安徽省金裕印铁制罐有限公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-116297275-A | Peroxide detection method | 江苏恒瑞医药股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116063899-A | Nano composite coating for packaging material | 安徽省金裕印铁制罐有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-110606944-B | Mildew-proof polyester fiber with high washability and preparation method thereof | 安徽深呼吸纺织科技有限公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-110606944-A | Mildew-proof polyester fiber with high washability and preparation method thereof | 界首市双鑫纺织有限公司 | 2019-12-24 | — | — | CN | disclosed |
| CN-110520409-A | Compounds and compositions for intracellular delivery of therapeutic agents | MODERNATX INC | 2019-11-29 | — | — | CN | disclosed |
| CN-104549514-B | A kind of solid catalyst of synthesizing acrylic ester and its preparation method and application | 中国石油化工股份有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-106179260-A | A kind of chelating resin and preparation method thereof and chelating resin application in nickeliferous copper solution deep copper removal | 中南大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-104549514-A | Solid catalyst for synthesizing propylene carbonate, preparation method and application of solid catalyst | CHINA PETROLEUM & CHEMICAL | 2015-04-29 | — | — | CN | disclosed |