SCHEMBL1629417

SCHEMBL1629417

CC(C)(C)C1(Br)C=CC=CC1

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
SCHEMBL28982541 0.70
SCHEMBL5308068 0.69
SCHEMBL2778093 0.67
SCHEMBL27700032 0.67
SCHEMBL28174195 0.66
SCHEMBL11882608 0.65
SCHEMBL10532356 0.64
SCHEMBL18297358 0.64
SCHEMBL4524582 0.64
SCHEMBL9394611 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252624-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2018-07-18 EP disclosed
US-8471248-B2 Electroluminiscent metal complexes with dibenzo[f,h] quinoxalines BASF SE (DE) 2013-06-25 US disclosed
US-20110089407-A1 ELECTROLUMINISCENT METAL COMPLEXES WITH DIBENZO[F,H] QUINOXALINES BASF SE (DE) 2011-04-21 US disclosed
CN-101970448-A Electroluminescent metal complexes with dibenzo [ f, h ] quinoxalines BASF SE 2011-02-09 CN disclosed
EP-2252624-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2010-11-24 EP disclosed
WO-2009100991-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2009-08-20 WO disclosed