⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1781774 | 0.79 | — | — | |
| SCHEMBL21577152 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28051922 | 0.78 | — | — | |
| SCHEMBL22545294 | 0.77 | ADH1B (0.41) | — | |
| SCHEMBL347526 | 0.76 | — | — | |
| SCHEMBL11997889 | 0.76 | — | — | |
| SCHEMBL18789602 | 0.75 | ADH1B (0.37) | — | |
| Hydrochloric Acid SCHEMBL28290315 | 0.74 | ADH1B (0.39) | — | |
| SCHEMBL14084413 | 0.74 | ADH1B (0.60) | — | |
| Hydrogen Peroxide SCHEMBL28104200 | 0.73 | ADH1B (0.52) | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167934-A | Monocycle and spiro-compound containing cyclobutane and containing azetidine as α V integrin inhibitor | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | claimed |
| CN-106715415-B | 3-amino-1, 5,6, 7-tetrahydro-4H-indol-4-ones | 拜耳制药股份公司 | 2019-06-14 | — | — | CN | claimed |
| CN-106414448-B | It can be used as the new compound of S100- inhibitor | 活跃生物技术有限公司 | 2019-04-19 | — | — | CN | claimed |
| CN-109641899-A | Compounds and compositions as endosomal Toll-like receptor inhibitors | 诺华股份有限公司 | 2019-04-16 | — | — | CN | claimed |
| CN-109310668-A | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2019-02-05 | — | — | CN | claimed |
| CN-109311880-A | For treating and preventing hepatitis b virus infected new tetrahydropyridine miazines compound | 豪夫迈·罗氏有限公司 | 2019-02-05 | — | — | CN | claimed |
| CN-109311819-A | Isoquinolin -3- base benzamide type and its preparation and its purposes | 萨穆梅德有限公司 | 2019-02-05 | — | — | CN | claimed |
| CN-107922338-A | The pyridine and application method being substituted | 艾伯维公司 | 2018-04-17 | — | — | CN | claimed |
| CN-107759587-A | [1,2,4] triazol [1,5 a] pyridine compounds and their and preparation method thereof and medical usage | 中国医药研究开发中心有限公司 | 2018-03-06 | — | — | CN | claimed |
| CN-106715415-A | 3-amino-1, 5,6, 7-tetrahydro-4H-indol-4-ones | 拜耳制药股份公司 | 2017-05-24 | — | — | CN | claimed |
| EP-3744722-A1 | ß-LACTAMASE INHIBITOR AND USE THEREOF | Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) | 2020-12-02 | — | — | EP | disclosed |
| CN-110520422-A | Novel pyridone carboxylic acid derivatives or its salt | WAKUNAGA PHARMA CO LTD | 2019-11-29 | — | — | CN | disclosed |
| CN-110105346-A | Optionally substituted quinoline compounds | 卫材R&D管理有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-110088096-A | Piperidine derivatives as inhibitors of ubiquitin-specific protease 7 | 阿尔麦克探索有限公司 | 2019-08-02 | — | — | CN | disclosed |
| WO-2019144912-A1 | β-LACTAMASE INHIBITOR AND USE THEREOF | 苏州信诺维医药科技有限公司 | 2019-08-01 | — | — | WO | disclosed |
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| US-20090203710-A1 | Novel piperidine derivative | MSD K.K. (JP) | 2009-08-13 | — | — | US | disclosed |
| US-7547693-B2 | Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists | BANYU PHARMACEUTICAL CO. LTD. (JP) | 2009-06-16 | — | — | US | disclosed |
| US-20070105901-A1 | Novel piperidine derivative | MSD K.K. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1669350-A1 | NOVEL PIPERIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |