SCHEMBL4429600

SCHEMBL4429600

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 2/20 0.34
NR1I2 O75469 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
ACLY P53396 1/20 0.32
ATM Q13315 1/20 0.32
APEX1 P27695 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
SCHEMBL1135140 0.83 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD
SCHEMBL28857734 0.78 CA1 (0.44) CA1CA2CA9ALDH1A1HPGD
SCHEMBL2957161 0.76 HPGD (0.48) CA1CA2CA9ALDH1A1HPGD
SCHEMBL6857137 0.74 CA1 (0.39) CA1CA2CA9ALDH1A1HPGD
SCHEMBL6907683 0.74 KDM4E (0.40) CA1CA2CA9ALDH1A1HPGD
SCHEMBL223100 0.73 CA1 (0.41) CA1CA2CA9ALDH1A1HPGD
SCHEMBL27493827 0.73 TDP1 (0.40) CA2ALDH1A1HSD17B10TDP1CYP2C19
SCHEMBL29418937 0.73 CA1 (0.41) CA1CA2CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8664340 0.72 CA1 (0.40) CA1CA2CA9ALDH1A1HPGD
SCHEMBL22276350 0.72 ALDH1A1 (0.43) 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 53 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
EP-0805824-A1 A SUPPORTED CATALYTIC ACTIVATOR W.R. Grace & Co.-Conn. (US) 1997-11-12 EP claimed
WO-1996040796-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. (US) 1996-12-19 WO claimed
WO-1996023005-A1 A SUPPORTED CATALYTIC ACTIVATOR W.R. GRACE & CO.-CONN. (US) 1996-08-01 WO claimed
US-5444134-A Using a coordination catalyst IDEMITSU KOSAN CO., LTD. (JP) 1995-08-22 US claimed
EP-0818472-B2 Cyclic olefin copolymers, compositions and molded articles comprising the copolymers IDEMITSU KOSAN CO (JP) 2009-07-29 EP disclosed
EP-0667359-B1 OLEFIN COPOLYMERS AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO (JP) 2004-03-31 EP disclosed
US-6432863-B2 FOR TRANSITION METAL CATALYST W. R. GRACE & CO.-CONN. 2002-08-13 US disclosed
EP-0690079-B1 ETHYLENE COPOLYMER, THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PRODUCING ETHYLENE COPOLYMER IDEMITSU KOSAN CO (JP) 2002-07-03 EP disclosed
EP-0683184-B1 POLYETHYLENE, THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PRODUCING POLYETHYLENE IDEMITSU KOSAN CO (JP) 2002-06-12 EP disclosed
EP-0667359-A1 OLEFIN COPOLYMERS AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-08-16 EP disclosed
US-5369196-A Production process of olefin based polymers IDEMITSU KOSAN CO., LTD. (JP) 1994-11-29 US disclosed
EP-0591756-A2 Polymerization catalysts and process for producing polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-04-13 EP disclosed
EP-0522581-A1 Process for producing olefin based polymers and olefin polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-01-13 EP disclosed
EP-0513380-A1 PROCESS FOR PRODUCING OLEFINIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-11-19 EP disclosed
EP-0504418-A1 PROCESS FOR PRODUCING CYCLOOLEFIN POLYMER, CYCLOOLEFIN COPOLYMER, AND COMPOSITION AND MOLDING PREPARED THEREFROM IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-23 EP disclosed