SCHEMBL295091

SCHEMBL295091

CC(C)C1(C)CCCC(OC(=O)C=[N+]=[N-])C1

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
SCHEMBL5029454 0.85 HTT (0.30)
SCHEMBL5585618 0.83 TSHR (0.31)
SCHEMBL4063062 0.81 EPHX1 (0.32)
SCHEMBL118102 0.79 CYP3A4 (0.35)
SCHEMBL11692275 0.79 CYP1A2 (0.30)
SCHEMBL10401813 0.78
SCHEMBL11372186 0.78
SCHEMBL614025 0.77 CYP19A1 (0.33)
SCHEMBL6897357 0.76
SCHEMBL9561872 0.75 CYP19A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683783-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1683782-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1120402-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2008-06-25 EP disclosed
EP-1683783-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed
EP-1683782-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed
US-7009079-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-07 US disclosed
US-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US disclosed
US-20050090684-A1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO., LTD. 2005-04-28 US disclosed
US-6670500-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-30 US disclosed
US-6469198-B2 OBTAINED BY CONTACTING N-SALICYLIDENEAMINOALCOHOL WITH MONO OR DIVALENT COPPER COMPOUND; FORMATION OF OPTICALLY ACTIVE CYCLOPROPANE-CARBOXYLIC ESTER FROM PROCHIRAL OLEFIN AND DIAZOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
EP-1120401-A2 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
EP-1120402-A2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP disclosed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP disclosed
US-5298623-A Cu complexes of bis-oxazolines and their use MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-03-29 US disclosed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US disclosed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP disclosed
US-5175311-A Reacting olefin with carbene precursor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-29 US disclosed
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO disclosed
US-4197408-A COPPER COMPLEX CATALYST, 2,5-DIMETHYL-2,4-HEXADIEN) REACTED WITH DIAZOACETATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-04-08 US disclosed