SCHEMBL4651065

SCHEMBL4651065

CC(C)C1=Cc2c(Br)cccc2C1C(C)C1C(C(C)C)=Cc2c(Br)cccc21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.30
NOX5 Q96PH1 1/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL4651939 0.81 ALDH1A1 (0.30)
SCHEMBL5616048 0.79
SCHEMBL5614232 0.79
SCHEMBL1452990 0.78
Hydrochloric Acid SCHEMBL5614227 0.78
SCHEMBL1453383 0.78
SCHEMBL4650956 0.77
SCHEMBL1451756 0.77
SCHEMBL1453324 0.77
SCHEMBL4650828 0.76 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed