SCHEMBL4633658

SCHEMBL4633658

CCOP(=O)(OCC)c1c(C#N)c(P(=O)(OCC)OCC)c(C#N)c(P(=O)(OCC)OCC)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
KMT2A Q03164 3/20 0.32
HIF1A Q16665 1/20 0.32
PPARD Q03181 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL4633662 0.80
SCHEMBL15530580 0.73 ACHE (0.32) ACHE
SCHEMBL5414435 0.71 TSHR (0.48) TSHRACHETP53TDP1LMNA
SCHEMBL12212084 0.70 TSHR (0.43) TSHRTP53TDP1POLBKMT2A
SCHEMBL578332 0.68 SMN1; SMN2 (0.47) TSHRTP53TDP1POLBKMT2A
SCHEMBL30434397 0.68 CYP2A6 (0.44) ACHETDP1LMNAALDH1A1KMT2A
SCHEMBL5411234 0.67 TSHR (0.40) TSHRTP53TDP1POLBKMT2A
SCHEMBL7088668 0.67 CA12 (0.41) TSHRACHETP53TDP1LMNA
SCHEMBL2493165 0.65 TSHR (0.39) TSHRTP53TDP1POLBKMT2A
SCHEMBL6486 0.64 ACHE (0.54) TSHRACHETP53TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619230-B1 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC (KR) 2008-05-28 EP disclosed
US-7261952-B2 Red color emitting compounds for organic electroluminescent device and an organic electroluminescent device using them LG ELECTRONICS INC. (KR) 2007-08-28 US disclosed
EP-1435384-B9 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC (KR) 2006-11-15 EP disclosed
EP-1435384-B1 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC (KR) 2006-09-06 EP disclosed
EP-1619230-A1 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG Electronics, Inc. (KR) 2006-01-25 EP disclosed
US-20040137273-A1 Red color emitting compounds for organic electroluminescent device and an organic electroluminescent device using them LG ELECTRONICS INC. 2004-07-15 US disclosed
EP-1435384-A2 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC. (KR) 2004-07-07 EP disclosed