SCHEMBL5704348

SCHEMBL5704348

CCCC[Zr](C)(C)(C1C(C)=Cc2ccccc21)C1C(C)=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5704360 0.83 CYP11B1 (0.30)
SCHEMBL797808 0.81
SCHEMBL797372 0.77
Hydrochloric Acid SCHEMBL440259 0.77
Hydrochloric Acid SCHEMBL5549433 0.77 CYP3A4 (0.32) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL7626786 0.76 BCHE (0.33) BCHEACHETSHR
SCHEMBL796798 0.76
SCHEMBL3797498 0.76
Hydrochloric Acid SCHEMBL439665 0.75 CYP11B1 (0.30)
SCHEMBL7634489 0.75 SOAT1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237957-B1 PREPARATION OF SUPPORTED POLYMERIZATION CATALYSTS EXXONMOBIL CHEM PATENTS INC (US) 2006-08-23 EP claimed