SCHEMBL7194669

SCHEMBL7194669

CCCCC1=Cc2ccccc2C1[Zr](Cl)(Cl)C1C(CCCC)=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5833495 0.90
SCHEMBL1131505 0.84 CYP2D6 (0.32) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL2519661 0.83 CYP11B1 (0.30)
SCHEMBL22228287 0.80
SCHEMBL22228480 0.79
Bromide SCHEMBL27203210 0.79
SCHEMBL815618 0.77 BCHE (0.35) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29213166 0.77 BCHE (0.35) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL813275 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL6902659 0.76 CYP3A4 (0.31) CYP3A4CYP2D6CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3058002-B1 POLYETHYLENE OF RAISED TEMPERATURE RESISTANCE BASELL POLYOLEFINE GMBH (DE) 2019-08-21 EP disclosed
US-9671047-B2 Polyethylene of raised temperature resistance BASELL POLYOLEFINE GMBH (DE) 2017-06-06 US disclosed
US-20160298795-A1 POLYETHYLENE OF RAISED TEMPERATURE RESISTANCE BASELL POLYOLEFINE GMBH (DE) 2016-10-13 US disclosed
EP-3058002-A1 POLYETHYLENE OF RAISED TEMPERATURE RESISTANCE Basell Polyolefine GmbH (DE) 2016-08-24 EP disclosed
WO-2015055392-A1 POLYETHYLENE OF RAISED TEMPERATURE RESISTANCE BASELL POLYOLEFINE GMBH (DE) 2015-04-23 WO disclosed
EP-0668865-B1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM NV (NL) 2003-07-23 EP disclosed
US-5990253-A METALLOCENES HAVING THE INDENE RING BINDING AT THE 2-POSITION RATHER THAN AT THE 1-POSITION; COORDINATION CATALYSTS; LESS CRYSTALLIZATION IN THE ADDITION POLYMERIZATION OF ELASTOMERS DSM N.V. (NL) 1999-11-23 US disclosed
US-5817590-A METALLOCENE, IONIZING IONIC COMPOUND, ORGANOALUMINUM COMPOUND, LEWIS BASE TOSOH CORPORATION (JP) 1998-10-06 US disclosed
US-5646322-A Indenyl compounds and catalyst components for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
EP-0668865-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1995-08-30 EP disclosed
WO-1994011406-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1994-05-26 WO disclosed