⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28230376 | 0.97 | — | — | |
| SCHEMBL17259106 | 0.89 | — | — | |
| SCHEMBL28763359 | 0.73 | — | — | |
| SCHEMBL1444055 | 0.72 | — | — | |
| SCHEMBL29240445 | 0.69 | — | — | |
| SCHEMBL27468668 | 0.68 | — | — | |
| Hydrogen Peroxide SCHEMBL28403802 | 0.65 | ALDH1A1 (0.33) | — | |
| Lithium Ion SCHEMBL28230375 | 0.65 | — | — | |
| SCHEMBL4059310 | 0.65 | — | — | |
| Bicarbonate SCHEMBL1627199 | 0.65 | TSHR (0.42) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118619944-A | 2,4, 6-Trisubstituted pyrimidine compounds as ATR kinase inhibitors | 北京泰德制药股份有限公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-118440102-A | Simple synthesis process of alkoxyl boric acid pinacol ester | 无锡琛鹏科技有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-118271323-A | WRN inhibitors | 苏州浦合医药科技有限公司 | 2024-07-02 | — | — | CN | disclosed |
| US-20240190887-A1 | COMPOUND USED AS SHP2 INHIBITOR AND USE THEREOF | TYK MEDICINES (ZHENGZHOU), INC. (CN) | 2024-06-13 | — | — | US | disclosed |
| CN-117986594-A | Synthesis method of solid polyboronic acid ester | 无锡琛鹏科技有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-116323616-A | Compounds useful as SHP2 inhibitors and uses thereof | 浙江同源康医药股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116234858-A | Compositions and methods for reacting organosilicon compounds with silicon-based hydrides catalyzed by fluorinated arylborane Lewis acids | 美国陶氏有机硅公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-115960141-A | Metal complex and application thereof | 北京八亿时空液晶科技股份有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-112047938-B | 2,4, 6-trisubstituted pyrimidine compounds as ATR kinase inhibitors | 北京泰德制药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113880812-A | Preparation method of CSF-IR (CSF-IR) inhibitor | 上海皓元生物医药科技有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-112646569-A | Chemiluminescent composition and preparation method thereof | 泉州博银信息科技有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-109153643-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2019-01-04 | — | — | CN | disclosed |
| EP-2931708-A2 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | Diverchim (FR) | 2015-10-21 | — | — | EP | disclosed |
| WO-2014091167-A2 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | DIVERCHIM (FR) | 2014-06-19 | — | — | WO | disclosed |
| US-7632954-B2 | Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2009-12-15 | — | — | US | disclosed |
| US-20070191455-A1 | Substituted sym-triindole | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1717239-A1 | SUBSTITUTED SYM-TRIINDOLE | Ihara Chemical Industry Co., Ltd. (JP) | 2006-11-02 | — | — | EP | disclosed |
| CN-1152863-C | Substituted pyridines as selective cyclooxygenase-2 inhibitors | ��˸���˹��(���ô�)��˾ | 2004-06-09 | — | — | CN | disclosed |
| CN-1225085-A | Substituted pyridines as selective cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC (CA) | 1999-08-04 | — | — | CN | disclosed |