SCHEMBL6357923

SCHEMBL6357923

CCCCC(CC)CO[Zr](C1=CC=CC1)C1=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 8/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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 SCHEMBL6357068 0.99 CYP3A4 (0.39) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL6903241 0.71 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Hydrochloric Acid SCHEMBL6357067 0.71 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL8712439 0.71 ALDH1A1 (0.40) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL27279270 0.71 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Hydrochloric Acid SCHEMBL8715936 0.70 CYP3A4 (0.37) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Hydrochloric Acid SCHEMBL8717756 0.70 CYP3A4 (0.37) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Hydrochloric Acid SCHEMBL8717754 0.70 CYP3A4 (0.41) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Hydrochloric Acid SCHEMBL8715942 0.70 ALDH1A1 (0.40) CYP3A4L3MBTL1ALDH1A1CA2TSHR
Hydrochloric Acid SCHEMBL27267867 0.70 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1CA2TSHR

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020437-A1 Microparticulate material MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
WO-2004106391-A1 POLYMER-BASED MATERIAL MERCK PATENT GMBH (DE) 2004-12-09 WO disclosed
US-20040014917-A1 Catalyst support, production and use thereof in the polymerization of olefins MERCK PATENT GMBH (DE) 2004-01-22 US disclosed
EP-1335792-A1 CATALYST SUPPORT, PRODUCTION AND USE THEREOF IN THE POLYMERIZATION OF OLEFINS MERCK PATENT GmbH (DE) 2003-08-20 EP disclosed
EP-0294942-B2 Solid catalyst for polymerizing an olefin MITSUI CHEMICALS INC (JP) 2002-05-08 EP disclosed
WO-2002034386-A1 CATALYST SUPPORT, PRODUCTION AND USE THEREOF IN THE POLYMERIZATION OF OLEFINS MERCK PATENT GMBH (DE) 2002-05-02 WO disclosed
US-6197985-B1 METALLOCENE SUPPORTS; OLEFIN POLYMERIZATION CATALYSTS MITSUI CHEMICALS INC (JP) 2001-03-06 US disclosed
US-6063726-A CATALYST COMPRISING SOLID COMPONENT OBTAINED BY SUPPORTING ZIRCONIUM COMPOUND ON POROUS INORGANIC OXIDE TREATED WITH HALOGENATED ALUMOXANE, ALUMOXANE MITSUI CHEMICALS, INC. (JP) 2000-05-16 US disclosed
EP-0906914-A2 Solid aluminoxane for catalyst carrier, process for preparing the same, and uses thereof Mitsui Chemicals, Inc. (JP) 1999-04-07 EP disclosed
US-5807801-A Catalyst for the polymerization of alpha-olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-09-15 US disclosed
US-4923833-A Catalyst for olefin polymerization and processes for its production MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-08 US disclosed
US-4921825-A DEPOSITING AN ALUMINOXANE ON CARRIER TRANSITION METAL COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-01 US disclosed
EP-0327649-A1 CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR ITS PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-16 EP disclosed
EP-0295312-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR ITS PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-12-21 EP disclosed
EP-0294942-A1 Solid catalyst for polymerizing an olefin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-12-14 EP disclosed
EP-0287666-A1 PROCESS FOR POLYMERIZING OLEFINS Mitsui Chemicals, Inc. (JP) 1988-10-26 EP disclosed
EP-0279863-A1 CATALYST FOR POLYMERIZING ALPHA-OLEFIN AND POLYMERIZATION PROCESS MITSUI CHEMICALS, INC. (JP) 1988-08-31 EP disclosed
EP-0279586-A2 Finely divided aluminoxane, process for producing same and its use MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-08-24 EP disclosed
EP-0250601-A1 CATALYST FOR POLYMERIZATION OF ALPHA-OLEFINS. MITSUI PETROCHEMICAL IND (JP) 1988-01-07 EP disclosed
WO-1987003887-A1 PROCESS FOR POLYMERIZATION OF ALPHA-OLEFINS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-07-02 WO disclosed