SCHEMBL8511896

SCHEMBL8511896

C[O-].Cc1ccc([Al+]c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 3/20 0.35
ALOX12 P18054 1/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL151329 0.90 ACHE (0.53) ACHETDP1ALDH1A1CA1CA2
Iodide SCHEMBL22027473 0.90 ACHE (0.53) ACHETDP1ALDH1A1CA1CA2
Bromide SCHEMBL1538738 0.90 ACHE (0.53) ACHETDP1ALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL149905 0.90 ACHE (0.53) ACHETDP1ALDH1A1CA1CA2
Fluoride Ion SCHEMBL1538747 0.90 ACHE (0.53) ACHETDP1ALDH1A1CA1CA2
SCHEMBL11726645 0.86 ACHE (0.42) ACHETDP1GAAALDH1A1CA1
Phenol SCHEMBL8511587 0.80 ACHE (0.43) ACHETDP1GAAALDH1A1CA1
Benzenethiol SCHEMBL8511198 0.75 ACHE (0.43) ACHETDP1GAAALDH1A1CA1
P-Xylene SCHEMBL460348 0.71 ACHE (1.00) ACHETDP1GAAALDH1A1CA1
P-Xylene SCHEMBL11770184 0.71 ACHE (1.00) ACHETDP1GAAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643366-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORP (US) 2015-03-25 EP disclosed
US-8895465-B2 Activator compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2014-11-25 US disclosed
EP-2643366-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS Albemarle Corporation (US) 2013-10-02 EP disclosed
US-20130253155-A1 Activator Compositions, Their Preparation, and Their Use In Catalysis ALBEMARIE CORPORATION (US) 2013-09-26 US disclosed
WO-2012071205-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2012-05-31 WO disclosed
EP-0314797-B1 OLEFIN POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING OLEFIN MITSUI PETROCHEMICAL IND (JP) 1997-07-02 EP disclosed
US-5206199-A Transition metal compound, aluminoxane, organoaluminum compound narrow weight distribution, high bulk density MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-04-27 US disclosed
US-5122491-A Coordination catalysts; synergistic effect of aluminoxane and organoaluminum compound MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-06-16 US disclosed
EP-0314797-A1 OLEFIN POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING OLEFIN MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-05-10 EP disclosed