⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1331764 | 0.95 | — | — | |
| SCHEMBL7448 | 0.95 | — | — | |
| SCHEMBL27940404 | 0.91 | — | — | |
| Methane SCHEMBL28603896 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27514837 | 0.90 | — | — | |
| Iodide SCHEMBL7170762 | 0.86 | — | — | |
| Cyanide SCHEMBL6870584 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9369310 | 0.86 | — | — | |
| Acetonitrile SCHEMBL28298802 | 0.86 | — | — | |
| Potassium Ion SCHEMBL7410697 | 0.82 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102309985-A | Highly active catalyst used for hydrosilation reaction of aldehyde and trimethylsilyl cyanide | UNIV DALIAN TECH | 2012-01-11 | — | — | CN | claimed |
| CN-110418791-A | Composition for injection and preparation method thereof comprising benzodiazepine * * class compound | SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD | 2019-11-05 | — | — | CN | disclosed |
| CN-107531714-B | Imidazopyrazines ketone as PDE1 inhibitor | H.隆德贝克有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-108368089-A | Novel Compounds | 特殊治疗有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108137606-A | Short-acting benzodiazepine * * derivatives, Its Preparation Method And Use | 四川科伦博泰生物医药股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107922347-A | New imide derivative and its purposes as medicine | 田边三菱制药株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-107531714-A | Imidazopyrazines ketone as PDE1 inhibitor | H.隆德贝克有限公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-107406373-A | Boron-containing diacylhydrazine compounds | 英特瑞克斯顿股份有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-104837818-B | It can be used as the acid amides of pyridine 2 of CB2 activators | 霍夫曼-拉罗奇有限公司 | 2017-07-14 | — | — | CN | disclosed |