SCHEMBL15329446

SCHEMBL15329446

CC1=Cc2c(ccc(C)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1[Zr](Cl)(Cl)(C1C(C)=Cc2c1ccc(C)c2-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=[Si](C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.33
KDM1A O60341 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
SCHEMBL8464437 0.84 HTR1A (0.34) KDM1A
SCHEMBL5609221 0.84 IKBKB (0.33) IKBKB
SCHEMBL2237766 0.82
SCHEMBL2237963 0.82
Hydrochloric Acid SCHEMBL15329617 0.81 IKBKB (0.34) IKBKB
SCHEMBL15329605 0.80
SCHEMBL8464932 0.78 KDM1A (0.37) IKBKBKDM1A
SCHEMBL2236273 0.78
SCHEMBL15329377 0.78
SCHEMBL8463229 0.77

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
WO-2013158411-A1 METHODS OF SEPARATING COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-24 WO disclosed
US-20130276519-A1 Methods of Separating Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2013-10-24 US disclosed