SCHEMBL4405161

SCHEMBL4405161

COC1(c2ccc(C(C)(C)C)cc2)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc2C1(OC)c1ccc(C(C)(C)C)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
SCHEMBL13475617 0.90
SCHEMBL20198313 0.84
SCHEMBL680231 0.79 NPC1 (0.32)
SCHEMBL2764075 0.74 MEN1 (0.35)
SCHEMBL10054029 0.73
SCHEMBL13567247 0.72 TSHR (0.41)
SCHEMBL2625116 0.71 CNR1 (0.31)
SCHEMBL14278568 0.71 PDK2 (0.34)
SCHEMBL12132351 0.70
SCHEMBL13855235 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366752-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND USE OF SAME MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8044217-B2 White-emitting copolymers, representation, and use thereof MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-8044217-B2 White-emitting copolymers, representation, and use thereof MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
EP-2366752-A2 New materials for electroluminescence and use of same Merck Patent GmbH (DE) 2011-09-21 EP disclosed
US-20100197875-A1 WHITE-EMITTING COPOLYMERS, REPRESENTATION, AND USE THEREOF MERCK PATENT GMBH (DE) 2010-08-05 US disclosed
US-20100197875-A1 WHITE-EMITTING COPOLYMERS, REPRESENTATION, AND USE THEREOF MERCK PATENT GMBH (DE) 2010-08-05 US disclosed
US-7723455-B2 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
US-7723455-B2 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7696284-B2 White-emitting copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2010-04-13 US disclosed
US-7696284-B2 White-emitting copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2010-04-13 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070060736-A1 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2007-03-15 US disclosed
US-20070060736-A1 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2007-03-15 US disclosed