SCHEMBL134086

SCHEMBL134086

Brc1ccc(COCCOCc2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
APP P05067 1/20 0.48
MAOB P27338 3/20 0.47
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 1/20 0.43
CHRM3 P20309 2/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL9342149 0.97 IDO1 (0.58) IDO1APPMAOBCYP2A6HTR2A
SCHEMBL9342899 0.97 IDO1 (0.58) IDO1APPMAOBCYP2A6HTR2A
SCHEMBL21578433 0.97 IDO1 (0.58) IDO1APPMAOBCYP2A6HTR2A
SCHEMBL9342895 0.92 IDO1 (0.64) IDO1APPMAOBCYP2A6HTR2A
SCHEMBL649020 0.92 IDO1 (0.64) IDO1APPMAOBCYP2A6HTR2A
SCHEMBL4768252 0.91 TSHR (0.61) IDO1APPMAOBTSHRCHRM3
SCHEMBL9347610 0.91 IDO1 (0.52) IDO1APPMAOBHTR2ATAAR1
SCHEMBL4218831 0.91 IDO1 (0.52) IDO1APPMAOBHTR2ATAAR1
SCHEMBL25263208 0.89 IDO1 (0.56) IDO1APPMAOBHTR2ATAAR1
SCHEMBL4757401 0.89 IDO1 (0.50) IDO1APPMAOBTAAR1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9653687-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-05-16 US disclosed
US-9653687-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-05-16 US disclosed
US-9099655-B2 Composition comprising at least one emitter compound and at least one polymer having conjugation-interrupting units MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-9099655-B2 Composition comprising at least one emitter compound and at least one polymer having conjugation-interrupting units MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-20130228767-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK 2013-09-05 US disclosed
US-20130228767-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK 2013-09-05 US disclosed
US-20120056170-A1 COMPOSITION COMPRISING AT LEAST ONE EMITTER COMPOUND AND AT LEAST ONE POLYMER HAVING CONJUGATION-INTERRUPTING UNITS MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
US-20120056170-A1 COMPOSITION COMPRISING AT LEAST ONE EMITTER COMPOUND AND AT LEAST ONE POLYMER HAVING CONJUGATION-INTERRUPTING UNITS MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
WO-2010136111-A1 COMPOSITION, CONTAINING AT LEAST ONE EMITTER COMPOUND AND AT LEAST ONE POLYMER WITH CONJUGATION-INTERRUPTING UNITS MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
US-5753757-A Electroluminescent polymer compositions and processes thereof XEROX CORPORATION (US) 1998-05-19 US disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed