SCHEMBL131886

SCHEMBL131886

O=C([O-])C1(CS)N=c2ccccc2=N1.O=C([O-])C1(CS)N=c2ccccc2=N1.[Cu+2]

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
Zinc Ion SCHEMBL6136340 0.96
Silver SCHEMBL7072482 0.71 CA2 (0.32)
Zinc Ion SCHEMBL6136075 0.71 CA2 (0.32)
Lithium Ion SCHEMBL15813140 0.67 KDM4E (0.33)
Lithium Ion SCHEMBL4302336 0.63 CES1 (0.31)
SCHEMBL9469517 0.62 PKM (0.38)
SCHEMBL9112829 0.61 CA12 (0.36)
SCHEMBL9729700 0.59 LMNA (0.32)
SCHEMBL3356415 0.58 KDM4E (0.32)
SCHEMBL4191636 0.55 KDM4E (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462745-A Synthesis method and application of phosphine ligand stable diborene 中国石油大学(华东) 2025-02-18 CN claimed
CN-119192215-A Suzuki coupling method of B (9, 10) o-dibromo-substituted m-carborane and application thereof 华东理工大学 2024-12-27 CN claimed
CN-115298163-B Preparation of aromatic carboxamides by palladium catalyzed carbonylation 巴斯夫欧洲公司 2024-11-19 CN claimed
CN-118287145-A Method for stabilizing phosphite ester in organic solution 中国石油化工股份有限公司 2024-07-05 CN claimed
EP-4143159-B1 PREPARATION OF AROMATIC CARBOXYAMIDES BY A PALLADIUM-CATALYZED CARBONYLATION REACTION BASF SE (DE) 2024-04-10 EP claimed
CN-116640057-A Preparation method of high-quality 4,4' -diacyl chloride diphenyl ether 天津众泰材料科技有限公司 2023-08-25 CN claimed
CN-115315419-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-08 CN claimed
CN-115298163-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-04 CN claimed
CN-110359097-B Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-09-20 CN claimed
CN-110331447-B Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-05-27 CN claimed
CN-110331447-A The method of On-DNA aryl acetylene hydrocarbon compound is prepared in the building of DNA encoding compound library 上海药明康德新药开发有限公司 2019-10-15 CN claimed
CN-110079867-A On-DNA Wittig reaction method and On-DNA olefin(e) compound obtained in DNA encoding compound library 上海药明康德新药开发有限公司 2019-08-02 CN claimed
CN-110041390-A The synthetic method of the 1,2,3- 3-triazole compounds of On-DNA in DNA encoding compound library 上海药明康德新药开发有限公司 2019-07-23 CN claimed
US-8124812-B2 Aldehyde compositions derived from seed oils DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-28 US claimed
US-20100298610-A1 ALDEHYDE COMPOSITIONS DERIVED FROM SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-11-25 US claimed
EP-1620387-B1 ALDEHYDE AND ALCOHOL COMPOSITIONS DERIVED FROM SEED OILS DOW GLOBAL TECHNOLOGIES INC (US) 2010-05-19 EP claimed
US-7615658-B2 Aldehyde and alcohol compositions derived from seed oils DOW GLOBAL TECHNOLOGIES, INC. (US) 2009-11-10 US claimed
US-20060193802-A1 Aldehyde and alcohol compositions derived from seed oils DOW GLOBAL TECHNOLOGIES LLC 2006-08-31 US claimed
EP-1620387-A2 ALDEHYDE AND ALCOHOL COMPOSITIONS DERIVED FROM SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2006-02-01 EP claimed
WO-2004096744-A2 ALDEHYDE AND ALCOHOL COMPOSITIONS DERIVED FROM SEED OILS DOW GLOBAL TECHNOLGIES INC. (US) 2004-11-11 WO claimed