⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4782096 | 0.75 | — | — | |
| SCHEMBL5697651 | 0.75 | — | — | |
| SCHEMBL29018023 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL1408474 | 0.72 | — | — | |
| SCHEMBL1408472 | 0.72 | — | — | |
| SCHEMBL4859442 | 0.69 | — | — | |
| SCHEMBL2293948 | 0.69 | — | — | |
| SCHEMBL18599154 | 0.69 | — | — | |
| SCHEMBL15932781 | 0.69 | — | — | |
| SCHEMBL29465611 | 0.69 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104353211-B | Butadiene storage tank bottom Butadiene Peroxide scavenger | 中国石油化工股份有限公司青岛安全工程研究院 | 2017-09-29 | — | — | CN | claimed |
| CN-104353211-A | Scavenging agent for butadiene peroxide at bottom of butadiene storing tank | CHINA PETROLEUM & CHEMICAL | 2015-02-18 | — | — | CN | claimed |
| US-4123616-A | NICKEL CATALYST | TOYO SODA MANUFACTURING CO., LTD. (JP) | 1978-10-31 | — | — | US | claimed |
| CN-109301003-B | Solar cell, solar cell module, solar cell system and method for preparing solar cell | 长春永固科技有限公司 | 2020-10-09 | — | — | CN | disclosed |
| CN-109326665-B | Solar cell string, solar cell module and preparation method thereof | 长春永固科技有限公司 | 2020-07-31 | — | — | CN | disclosed |
| CN-110198923-A | Method for obtaining pure 1, 3-butadiene | 巴斯夫欧洲公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-207551363-U | A kind of pumping system | 杭州龙驹合成材料有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-107428636-A | 1,3 butadiene are manufactured by oxidative dehydrogenation by n-butene | 巴斯夫欧洲公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-104353211-B | Butadiene storage tank bottom Butadiene Peroxide scavenger | 中国石油化工股份有限公司青岛安全工程研究院 | 2017-09-29 | — | — | CN | disclosed |
| CN-104353211-B | Butadiene storage tank bottom Butadiene Peroxide scavenger | 中国石油化工股份有限公司青岛安全工程研究院 | 2017-09-29 | — | — | CN | disclosed |
| CN-104353211-B | Butadiene storage tank bottom Butadiene Peroxide scavenger | 中国石油化工股份有限公司青岛安全工程研究院 | 2017-09-29 | — | — | CN | disclosed |
| CN-104955569-A | Method for the oxidative dehydrogenation of n-butenes to butadiene | BASF SE | 2015-09-30 | — | — | CN | disclosed |
| CN-104853842-A | SHELL CATALYST FOR THE OXIDATIVE DEHYDROGENATION OF N-BUTENES INTO BUTADIENE | BASF SE | 2015-08-19 | — | — | CN | disclosed |
| CN-104837558-A | Method for oxidative dehydrogenation of N-butenes to butadiene | BASF SE | 2015-08-12 | — | — | CN | disclosed |
| CN-104837795-A | Method for the oxidative dehydrogenation of n-butenes into butadiene | BASF SE | 2015-08-12 | — | — | CN | disclosed |
| CN-104797547-A | Method for producing butadiene with removal of oxygen from c4 hydrocarbon streams | BASF SE | 2015-07-22 | — | — | CN | disclosed |
| CN-104353211-A | Scavenging agent for butadiene peroxide at bottom of butadiene storing tank | CHINA PETROLEUM & CHEMICAL | 2015-02-18 | — | — | CN | disclosed |
| CN-104203878-A | Method for producing butadiene and/or butene from n-butane | BASF SE | 2014-12-10 | — | — | CN | disclosed |
| CN-102464546-B | Double-tower depropanization process for reducing reboiler scaling | CHINA HUANQIU CONTRACTING & ENG CORP | 2014-07-30 | — | — | CN | disclosed |
| CN-103698319-A | Method for detecting butadiene oxidation under laser irradiation | PETROCHINA CO LTD | 2014-04-02 | — | — | CN | disclosed |