SCHEMBL4469957

SCHEMBL4469957

CC(C)=[Zr](C1=CC=CC1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PNMT P11086 1/20 0.37
HTR2B P41595 2/20 0.34
HTR7 P34969 1/20 0.34
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SRD5A2 P31213 1/20 0.31
PGR P06401 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 SCHEMBL7634665 0.99 NPC1 (0.44) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL6302943 0.99 NPC1 (0.44) NPC1RAB9APNMTHTR2BHTR7
Butane SCHEMBL7921892 0.95 NPC1 (0.41) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL7040232 0.92 RAB9A (0.39) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL8065202 0.87 NPC1 (0.41) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL1081333 0.86 NPC1 (0.39) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL6908139 0.85 NPC1 (0.39) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL22261430 0.84 NPC1 (0.53) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL2807931 0.83 NPC1 (0.37) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL16239749 0.83 NPC1 (0.37) NPC1RAB9APNMTHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393851-A Coordination catalyst for polymerization of alpha-olefins FINA TECHNOLOGY, INC. (US) 1995-02-28 US claimed
EP-0945471-B1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS, PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS, AND PROCESSES FOR THE PRODUCTION OF STYRENE POLYMERS IDEMITSU KOSAN CO (JP) 2009-05-13 EP disclosed
US-6713574-B2 POLYMERIZING ETHYLENE, ALPHA-OLEFIN AND DIENE WITH A ZIRCONIUM METALLOCENE CATALYST HAVING AN UNSUBSTITUTED CYCLOPENTADIENYL LIGAND, A MULTIPLY SUBSTITUTED CYCLOPENTADIENYL LIGAND, THAT ARE BRIDGED WITH A GROUP 14 ELEMENT EXXONMOBIL CHEMICAL PATENTS INC. 2004-03-30 US disclosed
EP-0974601-B1 Olefin polymerization catalyst and process for producing olefin polymer JAPAN POLYCHEM CORP (JP) 2003-09-10 EP disclosed
US-6486278-B1 Ethylene copolymerization process EXXONMOBIL CHEMICAL PATENTS INC. 2002-11-26 US disclosed
US-6444763-B1 Polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-03 US disclosed
EP-0874006-B1 Phyllosilicate-supported catalyst for the polymerisation of olefins MITSUBISHI CHEM CORP (JP) 2001-08-08 EP disclosed
WO-2000069959-A2 POLYMER LAYERED INORGANIC NANOCOMPOSITES NATIONAL INSTITUTE OF STANDARDS & TECHNOLOGY (US) 2000-11-23 WO disclosed
US-6048817-A Polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-11 US disclosed
EP-0974601-A2 Olefin polymerization catalyst and process for producing olefin polymer Japan Polychem Corporation (JP) 2000-01-26 EP disclosed
EP-0874006-A1 Polymerisation of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1998-10-28 EP disclosed
EP-0839842-A2 Ethylene-alpha-olefin copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-06 EP disclosed
EP-0399347-B1 Process for preparing a Syndio-isoblockpolymer HOECHST AG (DE) 1996-08-14 EP disclosed
US-5308811-A Catalyst for polymerizing an olefin and method for producing an olefin polymer MITSUBISHI KASEI CORPORATION (JP) 1994-05-03 US disclosed