SCHEMBL13627695

SCHEMBL13627695

CC(C)(CCOC(C)(C)CCN)N=[N+]=[N-]

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
SCHEMBL18814891 0.85
SCHEMBL13759978 0.82
SCHEMBL18871650 0.82
SCHEMBL13667458 0.81
SCHEMBL31370776 0.80
SCHEMBL18272089 0.80
SCHEMBL14901052 0.79
SCHEMBL14527900 0.78 KDM4E (0.35)
SCHEMBL21615105 0.78
SCHEMBL21133086 0.77

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2023-01-05 US disclosed
EP-3139963-B1 CONJUGATES AND PRODRUGS FOR TREATING OF CANCER AND INFLAMMATORY DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-07 EP disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
EP-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 EP disclosed
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-11-21 US disclosed
EP-2359862-B1 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents INTEZYNE TECHNOLOGIES INC (US) 2013-07-24 EP disclosed
EP-2359862-A1 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents Intezyne Technologies Inc. (US) 2011-08-24 EP disclosed
WO-2009134984-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS FROM DIFLUOROACETATE AMMONIUM SALTS INTEZYNE TECHNOLGIES INC. (US) 2009-11-05 WO disclosed
WO-2008134731-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 WO disclosed