SCHEMBL7046629

SCHEMBL7046629

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
USP30 Q70CQ3 1/20 0.32
HTR1A P08908 4/20 0.32
HTR7 P34969 4/20 0.32
HTR2B P41595 3/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 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
Hydrochloric Acid SCHEMBL6063831 0.98 CHRNB2 (0.34) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL6434163 0.96 BRD4 (0.34) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL7049009 0.94 CHRNB2 (0.33) CHRNB2CHRNA4BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL7129750 0.93 CHRNB2 (0.33) CHRNB2CHRNA4BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL6064049 0.93 CHRNB2 (0.33) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL6441149 0.85 BRD4 (0.33) BRD4
SCHEMBL6434202 0.84 ALDH1A1 (0.33)
SCHEMBL6658743 0.82 HTR7 (0.33) HTR1AHTR7MAOAMAOB
Hydrochloric Acid SCHEMBL7197428 0.82 MAPT (0.35) PDCD1CD274
SCHEMBL7117057 0.81 CNR1 (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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058694-B1 Catalyst system, method for its production and its use for the polymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-09 EP claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP claimed
US-6465384-B1 BISCYCLOPENTADIENYL GROUP 4 TRANSITION METAL COMPLEXES POSSESSING DIENE LIGANDS AND TO USE AS POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2002-10-15 US claimed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US claimed
US-5972822-A Biscyclopentadienyldiene complex containing addition polymerization catalysts THE DOW CHEMICAL COMPANY (US) 1999-10-26 US claimed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP claimed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP claimed
US-5616664-A Polymerization process with biscyclopentadienyl diene complex containing catalysts THE DOW CHEMICAL COMPANY (US) 1997-04-01 US claimed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO claimed
EP-1056752-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2000-12-06 EP disclosed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed
US-6051727-A A POLYMERIZATION CATALYST FOR POLYOLEFINS OF HIGH MOLECULAR WEIGHT, OF PARTICULAR IMPORTANCE FOR THE PRODUCTION OF FILMS, SHEETS OR LARGE HOLLOW ARTICLES OR MOLDINGS SUCH AS PIPES TARGOR GMBH (DE) 2000-04-18 US disclosed
WO-1999042467-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 1999-08-26 WO disclosed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP disclosed
EP-0915098-A2 Biscyclopentadienyl diene complexes, their preparation and catalyst compositions containing them THE DOW CHEMICAL COMPANY (US) 1999-05-12 EP disclosed