SCHEMBL680181

SCHEMBL680181

Cc1ccc(C)c(C2(c3ccc(OCCC(C)CCCC(C)C)cc3)c3cc(B4OCCO4)ccc3-c3ccc(B4OCCO4)cc32)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
FDPS P14324 1/20 0.32
GSTO1 P78417 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
PDK2 Q15119 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12522717 1.00 ALOX5 (0.32) ALOX5FDPSGSTO1TDP1TP53
SCHEMBL1755298 0.88 FDPS (0.38) ALOX5FDPSGSTO1TDP1TP53
SCHEMBL680174 0.83 FDPS (0.35) ALOX5FDPSGSTO1TDP1TP53
SCHEMBL7777147 0.82 PDK2 (0.41) ALOX5FDPSGSTO1TDP1TP53
SCHEMBL5147627 0.81 FDPS (0.35) ALOX5FDPSGSTO1TDP1TP53
SCHEMBL5998171 0.79 PDK2 (0.34) ALOX5FDPSGSTO1TDP1PDK2
SCHEMBL14156864 0.79 ALOX5 (0.32) ALOX5FDPSTDP1TP53PDK2
SCHEMBL12619436 0.78 FDPS (0.31) FDPS
Di(Hydroxyethyl)Ether SCHEMBL7266577 0.77 ALOX5 (0.33) ALOX5FDPSPDK2
SCHEMBL12379453 0.76 FDPS (0.34) ALOX5FDPSTDP1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053547-B2 Conjugated polymers and blends containing carbazole, representation and use thereof MERCK PATENT GMBH (DE) 2011-11-08 US disclosed
US-8053547-B2 Conjugated polymers and blends containing carbazole, representation and use thereof MERCK PATENT GMBH (DE) 2011-11-08 US disclosed
US-20110068304-A1 Conjugated Polymers and Blends Containing Carbazole, Representation and Use Thereof MERCK PATENT GMBH (DE) 2011-03-24 US disclosed
US-20110068304-A1 Conjugated Polymers and Blends Containing Carbazole, Representation and Use Thereof MERCK PATENT GMBH (DE) 2011-03-24 US disclosed
US-7910687-B2 Conjugated polymers containing arylamine units, the representation thereof and the use of the same MERCK PATENT GMBH (DE) 2011-03-22 US disclosed
US-7910687-B2 Conjugated polymers containing arylamine units, the representation thereof and the use of the same MERCK PATENT GMBH (DE) 2011-03-22 US disclosed
US-7772323-B2 Conjugated copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
EP-1932866-A1 Blends comprising conjugated carbazole polymers, synthesis and usage thereof MERCK PATENT GmbH (DE) 2008-06-18 EP disclosed
EP-1592729-B1 CONJUGATED POLYMERS AND BLENDS CONTAINING CARBAZOLE, REPRESENTATION AND USE THEREOF MERCK PATENT GMBH (DE) 2008-04-23 EP disclosed
EP-1656407-B1 CONJUGATED COPOLYMERS, REPRESENTATION AND USE THEREOF MERCK PATENT GMBH (DE) 2008-03-12 EP disclosed
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed