SCHEMBL28013012

SCHEMBL28013012

CC(C)CC(C)NC1C=Cc2c(N(c3ccccc3)c3ccccc3)ccc3cccc1c23

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28860735 0.86 KDM4E (0.30)
SCHEMBL15056948 0.80 ALDH1A1 (0.39)
SCHEMBL28802466 0.73 ALDH1A1 (0.37)
SCHEMBL21774001 0.72 ALDH1A1 (0.39)
SCHEMBL20553893 0.70
SCHEMBL28153594 0.69 KMT2A (0.31)
SCHEMBL28210503 0.68
SCHEMBL9566725 0.64
SCHEMBL28405941 0.61 CYP3A4 (0.34)
SCHEMBL27761972 0.60 ALDH1A1 (0.47)

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107216504-B A kind of high abrasion rare-earth rubber material for shoes and preparation method thereof 中国皮革和制鞋工业研究院(晋江)有限公司 2018-10-23 CN claimed
CN-106046226-B A kind of double olefin copolymer and preparation method thereof 中国科学院长春应用化学研究所 2018-07-03 CN claimed
CN-108003834-A A kind of harmonic wave and stray electromagnetic irradiation suppress material and preparation method thereof 湖北航聚科技有限公司 2018-05-08 CN claimed
CN-107540888-A A kind of automotive suspension bushing rubber composition 上海众力汽车部件有限公司 2018-01-05 CN claimed
CN-107216504-A A kind of high abrasion rare-earth rubber material for shoes and preparation method thereof 中国皮革和制鞋工业研究院(晋江)有限公司 2017-09-29 CN claimed
CN-105348581-A Natural rubber-based flexible wave absorbing composite material and preparation method thereof AGRICULTURAL PRODUCT PROC RES INST CHINESE ACADEMY OF TROPICAL AGRICULTURAL SCIENCES 2016-02-24 CN claimed
CN-108440807-A Material for sole of shoe and preparation method thereof 中国皮革制鞋研究院有限公司 2018-08-24 CN disclosed
CN-108431170-A By Hydrophobic association property polymer tertiary recovery mineral oil method 巴斯夫欧洲公司 2018-08-21 CN disclosed
CN-107973950-A Environment-friendly type downhole well applications engineering tire tread rubber composition and preparation method thereof 青岛泰凯英轮胎有限公司 2018-05-01 CN disclosed
CN-107922673-A Phosphorus-containing 3-phenyl-benzofuran-2-one derivatives as stabilizers 巴斯夫欧洲公司 2018-04-17 CN disclosed
CN-104725539-B Modified high cis-isoprene polymer, process for producing the same, and tire comprising the same 奇美实业股份有限公司 2018-04-06 CN disclosed
CN-107721784-A A kind of azido composite solidpropellant for including combination stabilization agent 湖北航天化学技术研究所 2018-02-23 CN disclosed
CN-107540888-A A kind of automotive suspension bushing rubber composition 上海众力汽车部件有限公司 2018-01-05 CN disclosed
CN-107033405-A Hose lining rubber composition is with vulcanizing rubber and its preparation method and application 中国石油化工股份有限公司 2017-08-11 CN disclosed
CN-104693355-B Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer and synthesis method thereof 奇美实业股份有限公司 2017-08-04 CN disclosed
CN-106633277-A Use of photosensitive molecules and metal complexes as oxygen scavenger elements 巴斯夫欧洲公司 2017-05-10 CN disclosed
CN-106574090-A 3-phenyl-benzofuran-2-one diphosphite derivatives as stabilizers 巴斯夫欧洲公司 2017-04-19 CN disclosed
CN-105754166-A Rubber composition and vulcanized rubber and preparation method and application thereof 中国石油化工股份有限公司 2016-07-13 CN disclosed
CN-105348581-A Natural rubber-based flexible wave absorbing composite material and preparation method thereof AGRICULTURAL PRODUCT PROC RES INST CHINESE ACADEMY OF TROPICAL AGRICULTURAL SCIENCES 2016-02-24 CN disclosed
CN-103360647-B Rubber composition and vulcanized rubber and preparation method thereof CHINA PETROLEUM & CHEMICAL 2015-06-17 CN disclosed