⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29655947 | 1.00 | — | — | |
| SCHEMBL29656074 | 0.77 | — | — | |
| SCHEMBL28176000 | 0.71 | — | — | |
| SCHEMBL27695261 | 0.67 | — | — | |
| SCHEMBL25515908 | 0.67 | — | — | |
| SCHEMBL6206004 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7507421 | 0.67 | — | — | |
| SCHEMBL6014661 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28664889 | 0.65 | — | — | |
| SCHEMBL27509632 | 0.65 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113321618-B | Three alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2022-05-20 | — | — | CN | claimed |
| EP-1680127-A1 | BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-19 | — | — | EP | claimed |
| WO-2005039591-A1 | BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-06 | — | — | WO | claimed |
| CN-115215800-A | Dibenzocyclyl-cyclic amino ether derivative or salt and preparation method and application thereof | 赣江中药创新中心 | 2022-10-21 | — | — | CN | disclosed |
| CN-113321618-B | Three alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-107427523-A | Targeted therapy for leiomyosarcoma | 伊莱利利公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107286166-A | Replace 1,3,4,5- tetrahydrochysene -6H- pyrrolo-es [4,3,2-EF] [2] benzo-aza -6- ketone derivatives | 上海勋和医药科技有限公司 | 2017-10-24 | — | — | CN | disclosed |
| CN-106220625-B | A kind of synthetic method of pirenzepine hydrochloride key intermediate | 常州大学 | 2017-10-20 | — | — | CN | disclosed |
| CN-106220625-A | A kind of synthetic method of pirenzepine hydrochloride key intermediate | 常州大学 | 2016-12-14 | — | — | CN | disclosed |
| CN-105764501-A | Compositions for improving the therapeutic benefit of bisantrene | 现代化制药公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105764502-A | Combination methods for improving the therapeutic benefit of bisantrene and analogs and derivatives thereof | 现代化制药公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-1913900-A | Amino-substituted diaryl [ a, d ] cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric diseases | ACADIA PHARM INC (US) | 2007-02-14 | — | — | CN | disclosed |
| CN-1894217-A | Substituted dibenzo-azepine and benzo-diazepine derivatives useful as gamma-secretase inhibitors | HOFFMANN LA ROCHE (CH) | 2007-01-10 | — | — | CN | disclosed |
| CN-1875005-A | Malonamide derivatives blocking the activtiy of gamma-secretase | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |
| CN-1678586-A | Substituted quinoline CCR5 receptor antagonists | SCHERING AG (DE) | 2005-10-05 | — | — | CN | disclosed |
| EP-0463969-B1 | New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them | ADIR (FR) | 1995-02-08 | — | — | EP | disclosed |
| US-5278166-A | 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1994-01-11 | — | — | US | disclosed |
| US-5214063-A | 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1993-05-25 | — | — | US | disclosed |
| US-5162364-A | Treatment of spastic and senescence disorders | ADIR ET COMPAGNIE (FR) | 1992-11-10 | — | — | US | disclosed |
| EP-0463969-A1 | New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them | ADIR ET COMPAGNIE (FR) | 1992-01-02 | — | — | EP | disclosed |