SCHEMBL6857480

SCHEMBL6857480

CC(C)(C)c1ccc(C(C)(C)C)c(O[Ti](C)(C)Oc2cc(C(C)(C)C)ccc2C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1I2 O75469 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
CYP2C19 P33261 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6857137 0.83 CA1 (0.39) CA1CA2CA9ALDH1A1HPGD
SCHEMBL28857734 0.79 CA1 (0.44) CA1CA2CA9ALDH1A1HPGD
SCHEMBL2957161 0.78 HPGD (0.48) CA1CA2CA9ALDH1A1HPGD
SCHEMBL223100 0.74 CA1 (0.41) CA1CA2CA9ALDH1A1HPGD
SCHEMBL29418937 0.74 CA1 (0.41) CA1CA2CA9ALDH1A1HPGD
SCHEMBL22276350 0.73 ALDH1A1 (0.43) CA1CA2CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9573670 0.73 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8664340 0.73 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD
SCHEMBL1135140 0.73 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD
SCHEMBL26778142 0.73 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805824-B1 A SUPPORTED CATALYTIC ACTIVATOR GRACE W R & CO (US) 2002-04-24 EP claimed
US-20020006863-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. 2002-01-17 US claimed
US-20010018395-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. 2001-08-30 US claimed
EP-0830385-B1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS GRACE W R & CO (US) 2000-12-27 EP claimed
EP-0830385-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP claimed
WO-1996040796-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. (US) 1996-12-19 WO claimed
US-6787617-B1 FORMING NARROW MOLECULAR WEIGHT HOMOPOLYMERS AS INTERMEDIATES TO BLOCK OR TERMINAL FUNCTIONALIZED POLYMERS; HAFNIUM OR ZIRCONIUM CYCLOPENTADIENYL FUNCTIONALIZED CATALYSTS WITH TRIPHENYLBORON AND TRIALKYLALUMINUM COMPOUNDS JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-07 US disclosed
US-6432863-B2 FOR TRANSITION METAL CATALYST W. R. GRACE & CO.-CONN. 2002-08-13 US disclosed
US-6403518-B2 MADE BY REACTING AN INORGANIC OR POLYMERIC CARRIER CONTAINING REACTIVE FUNCTIONALITIES WITH A HALOGENATED ORGANIC IN THE PRESENCE OF A BASE; TRANSITION METAL CATALYSTS FURTHER SUPPORTED ON THE CARRIER W. R. GRACE & CO.-CONN. 2002-06-11 US disclosed
EP-1209171-A1 PROCESS FOR PRODUCING OLEFIN LIVING POLYMER JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-05-29 EP disclosed
EP-0805824-B1 A SUPPORTED CATALYTIC ACTIVATOR GRACE W R & CO (US) 2002-04-24 EP disclosed
US-20020006863-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. 2002-01-17 US disclosed
US-20010018395-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. 2001-08-30 US disclosed
US-5939347-A Supported catalytic activator W.R. GRACE & CO. -CONN. (US) 1999-08-17 US disclosed
US-5885924-A REACTING A CARRIER CONTAINING REACTIVE FUNCTIONALITIES, E.G., HYDROXYL CONTAINING SILICA, WITH HALOGENATED ORGANIC COMPOUNDS, E.G., FLUOROSUBSTITUTED PHENOLS, IN THE PRESENCE OF A BASE W. R. GRACE & CO.-CONN. (US) 1999-03-23 US disclosed
EP-0830385-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP disclosed
WO-1996040796-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. (US) 1996-12-19 WO disclosed
EP-0572003-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed
EP-0571987-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed
EP-0572034-A2 Ethylenic copolymer and ethylenic copolymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed