SCHEMBL862345

SCHEMBL862345

COc1cc(OC)c(-c2cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)nc(CN(CCCCCCOP(OC)OCCC#N)Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n3)c2)c(OC)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
SCHEMBL841485 0.81 ACHE (0.33)
SCHEMBL842343 0.73 APP (0.33)
SCHEMBL862173 0.70 PPARG (0.35)
SCHEMBL842297 0.69 HCRTR2 (0.35)
SCHEMBL878934 0.65 PPARG (0.32)
SCHEMBL10050328 0.65 TERT (0.31)
SCHEMBL12060741 0.65 PPARG (0.32)
SCHEMBL862172 0.65 APP (0.34)
SCHEMBL4496064 0.63 APP (0.35)
SCHEMBL5125309 0.62 TNFRSF1A (0.45)

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-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed