⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8064428 | 0.81 | — | — | |
| SCHEMBL10942191 | 0.81 | HCAR2 (0.44) | — | |
| SCHEMBL8907820 | 0.81 | HCAR2 (0.44) | — | |
| SCHEMBL5079220 | 0.78 | HCAR2 (0.42) | — | |
| SCHEMBL5079221 | 0.78 | HCAR2 (0.42) | — | |
| SCHEMBL25405178 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL1071659 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL16503 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL1071656 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL25405174 | 0.75 | HCAR2 (0.40) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107337631-A | It is a kind of based on Oxoindole spiro-compound and its synthetic method of the allyl sulfide ylide as three carbon synthons | 天津理工大学 | 2017-11-10 | — | — | CN | claimed |
| CN-110066231-B | Aza beta-substituted Morita-Baylis-Hillman type compound and synthetic method thereof | 江苏师范大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-110066280-A | A kind of oxindole spiral shell pyridine compounds and their and its synthetic method | 江苏师范大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-110066231-A | A kind of azepine β-substitution Morita-Baylis-Hillman type compound and its synthetic method | 江苏师范大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-105175331-B | A kind of preparation method of the molecular targeted anti-tumor drug of EGFR class | 江苏苏中药业集团股份有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-105777756-B | Heteroaryl compound and its application in drug | 广东东阳光药业有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-106831787-B | Compound and its preparation method and application as bruton's tyrosine kinase inhibitor | 成都倍特药业有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-108191862-A | The synthetic method of 4- hydroxyl -2- substituted pyrazolopyridines class compounds | 泰山医学院 | 2018-06-22 | — | — | CN | disclosed |
| CN-104109143-B | A kind of melatonin (MT1-MT2) receptor stimulating agent and preparation method thereof and purposes | 上海阳帆医药科技有限公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-105669479-B | The method that one kettle way prepares the trans 4 dimethyl amido cronate hydrochlorate of high-purity | 重庆威鹏药业有限公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-107337631-A | It is a kind of based on Oxoindole spiro-compound and its synthetic method of the allyl sulfide ylide as three carbon synthons | 天津理工大学 | 2017-11-10 | — | — | CN | disclosed |
| CN-106831787-A | Compound as bruton's tyrosine kinase inhibitor and its preparation method and application | 成都倍特药业有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-103755688-B | A kind of Ah method is for the preparation method of Buddhist nun's compound | JIANGSU AOSAIKANG PHARMACEUTICAL CO.,LTD. (CN) | 2015-11-18 | — | — | CN | disclosed |