SCHEMBL7150484

SCHEMBL7150484

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)(=[SiH2])C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2A6 P11509 1/20 0.33
DHFR P00374 1/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP2 O95551 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
GALK1 P51570 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
Hydrochloric Acid SCHEMBL271719 0.99 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
Fluoride SCHEMBL7645016 0.99 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL8575914 0.96 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL6435343 0.95 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL4000317 0.92 ALDH1A1 (0.33) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL3401092 0.89 DRD2 (0.30) DRD2SLC6A4
Hydrochloric Acid SCHEMBL273551 0.89
SCHEMBL4006349 0.89 PTGS1 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL6917493 0.88 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5513311 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020420-B1 High crystalline polypropylene waxes CLARIANT FINANCE BVI LTD (VG) 2012-10-10 EP claimed
EP-0859800-B1 SUPPORTED CATALYST SYSTEM, PROCESS FOR ITS PRODUCTION AND ITS USE IN POLYMERISING OLEFINES BASELL POLYOLEFINE GMBH (DE) 2003-07-23 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
EP-0836624-B1 METHOD FOR PRODUCING PREPOLYMERIZED, SUPPORTED METALLOCENE CATALYST SYSTEMS EXXONMOBIL CHEM PATENTS INC (US) 2002-04-17 EP 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-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 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
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
EP-0904301-A1 METTALLOCENE CATALYST SYSTEMS WITH INORGANIC OXIDES AS CARRIERS BASF AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed
WO-1997047662-A1 METTALLOCENE CATALYST SYSTEMS WITH INORGANIC OXIDES AS CARRIERS BASF AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
CN-1116852-A Propylene elastomer MITSUI PETROCHEMICAL IND (JP) 1996-02-14 CN disclosed