SCHEMBL5555346

SCHEMBL5555346

CCN(CCNCCN(CC(=O)OC(C)(C)C)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

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
SCHEMBL8131155 0.88
SCHEMBL8138081 0.86
SCHEMBL8135274 0.85 TDP1 (0.34)
SCHEMBL8130601 0.84 TDP1 (0.36)
SCHEMBL7203307 0.84 CHRM2 (0.33)
SCHEMBL7745466 0.80 NR1D1 (0.34)
SCHEMBL7762658 0.79 CHRM2 (0.32)
SCHEMBL23130694 0.78 NR1D1 (0.34)
SCHEMBL8875240 0.77 AKT1 (0.40)
SCHEMBL13671149 0.77 CA14 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211241-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
US-6426059-B1 NUCLEAR MAGNETIC RESONANCE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed
US-6177060-B1 NMR OR X-RAY LYMPHOGRAPHY IMAGES SCHERING AKTIENGESEUSCHAFT (DE) 2001-01-23 US disclosed
US-6166200-A Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-6063361-A ADMINISTERING TO A PATIENT AT LEAST ONE CASCADE POLYMER COMPLEX AND SUBJECTING THE PATIENT TO A RADIOLOGY DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-5820849-A DIAGNOSIS WITH NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5730956-A DTPA di-alkyl monoamides for x-ray and MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5676926-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed