SCHEMBL4400936

SCHEMBL4400936

CC1=CC=C(C)C1=O

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
SCHEMBL5587493 0.92 ALDH1A1 (0.35)
SCHEMBL15484139 0.71
SCHEMBL2741115 0.69 ALDH1A1 (0.40)
SCHEMBL21463 0.69 MAPT (0.41)
SCHEMBL8733587 0.68
SCHEMBL20036805 0.68
SCHEMBL13991620 0.67
SCHEMBL13222238 0.67
SCHEMBL11428969 0.67
SCHEMBL14830653 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7268201-B2 Insulating-film forming material and insulating film using the same FUJIFILM CORPORATION (JP) 2007-09-11 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed