⚠ 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 SCHEMBL30490488 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.87 | — | — | |
| Acetonitrile SCHEMBL350933 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.87 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.87 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10524251 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10523138 | 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114213408-B | Preparation method of tiotropium bromide | 台州仙琚药业有限公司 | 2023-03-31 | — | — | CN | claimed |
| CN-114213408-A | Preparation method of tiotropium bromide | 台州仙琚药业有限公司 | 2022-03-22 | — | — | CN | claimed |
| CN-103130760-B | Novel targeting antineoplastic drug and manufacture method thereof and application thereof | DALIAN CHEMICAL PHYSICS INST | 2015-06-17 | — | — | CN | claimed |
| CN-114213408-B | Preparation method of tiotropium bromide | 台州仙琚药业有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-114213408-A | Preparation method of tiotropium bromide | 台州仙琚药业有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-107304178-B | Preparation method of muscarinic receptor antagonist glycopyrronium bromide chiral enantiomer | 辽宁药联制药有限公司 | 2020-03-27 | — | — | CN | disclosed |
| CN-105431432-B | Quinine class compound, its optical isomer and preparation method thereof and medical usage | 北京硕佰医药科技有限责任公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-107304178-A | A kind of preparation method of muscarinic receptor antagonist glycopyrronium bromide chiral enantiomer | 辽宁药联制药有限公司 | 2017-10-31 | — | — | CN | disclosed |
| CN-104045651-B | Preparation method of cyclopentyldithiophene with side chain comprising biquaternary ammonium salt group and conjugated polyelectrolyte of cyclopentyldithiophene | 济南大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-105431432-A | Quinine compounds, and optical isomers, preparation method and medical use thereof | BEIJING JIASHI LIANBO PHARM SCI & TECH CO LTD | 2016-03-23 | — | — | CN | disclosed |
| CN-103130760-B | Novel targeting antineoplastic drug and manufacture method thereof and application thereof | DALIAN CHEMICAL PHYSICS INST | 2015-06-17 | — | — | CN | disclosed |
| US-7192969-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050065211-A1 | Ester derivatives | MSD K.K. (JP) | 2005-03-24 | — | — | US | disclosed |
| US-6846835-B2 | Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-01-25 | — | — | US | disclosed |
| US-6809108-B1 | SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-10-26 | — | — | US | disclosed |
| US-20040204369-A1 | Novel amide derivatives | MSD K.K. (JP) | 2004-10-14 | — | — | US | disclosed |
| EP-1213281-B1 | NOVEL AMIDE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-02-18 | — | — | EP | disclosed |
| US-20030191316-A1 | Ester derivatives | MSD K.K. (JP) | 2003-10-09 | — | — | US | disclosed |
| EP-1302458-A1 | ESTER DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |
| EP-1213281-A1 | NOVEL AMIDE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-06-12 | — | — | EP | disclosed |