SCHEMBL4651107

SCHEMBL4651107

CC1=Cc2c(Br)cc(P(c3ccccc3)c3ccccc3)cc2C1C(C)C1C(C)=Cc2c(Br)cc(P(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1451992 0.81 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL1453111 0.80 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL1451734 0.80 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL1451621 0.78 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL4651188 0.76 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL4651165 0.75
SCHEMBL4652286 0.72
SCHEMBL4653331 0.70
SCHEMBL4653367 0.69 KCNH2 (0.32)
SCHEMBL4652002 0.69 PPARG (0.33)

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