SCHEMBL3398131

SCHEMBL3398131

CC(C)(C)C(c1ccc(N)cc1)(C(C)(C)C)C(N(Cc1cc(Br)cc(CN(CC(=O)O)CC(=O)O)n1)Cc1cc(Br)cc(CN(CC(=O)O)CC(=O)O)n1)(C(C)(C)C)C(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
SCHEMBL3628974 0.74 TDP1 (0.38)
SCHEMBL3398146 0.72 PPARG (0.30)
SCHEMBL12293197 0.68 LTB4R (0.38)
SCHEMBL10535744 0.67 GFER (0.41)
SCHEMBL5326532 0.66 APP (0.42)
SCHEMBL3477183 0.65 NR1D1 (0.34)
SCHEMBL5007664 0.63 NR1D1 (0.36)
SCHEMBL8957835 0.62 TDP1 (0.38)
SCHEMBL11303647 0.62 TDP1 (0.38)
SCHEMBL18674519 0.62 NR1D1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10365286-B2 Chromophoric structures for lanthanide chelates RADIOMETER TURKU OY (FI) 2019-07-30 US disclosed
US-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 US disclosed
US-8216856-B2 Luminescent lanthanide labelling reagents and their use ABACUS DIAGNOSTICA OY (FI) 2012-07-10 US disclosed
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed
US-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-04-01 US disclosed