SCHEMBL8515352

SCHEMBL8515352

C[N-]C.c1ccc([Al+]c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
ALOX12 P18054 2/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR2B P41595 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
CA4 P22748 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
SCHEMBL8512791 0.84 TSHR (0.37) TSHRALOX12ACHELMNAALDH1A1
SCHEMBL8511868 0.84 TSHR (0.37) TSHRALOX12ACHELMNAALDH1A1
Iodide SCHEMBL2166396 0.83 ALDH1A1 (0.39) TSHRALOX12ACHELMNAALDH1A1
Hydrochloric Acid SCHEMBL150126 0.83 ALDH1A1 (0.39) TSHRALOX12ACHELMNAALDH1A1
SCHEMBL1228647 0.83 ALDH1A1 (0.39) TSHRALOX12ACHELMNAALDH1A1
Fluoride Ion SCHEMBL1538989 0.83 ALDH1A1 (0.47) TSHRALOX12ACHELMNAALDH1A1
SCHEMBL148446 0.83 ALDH1A1 (0.39) TSHRALOX12ACHELMNAALDH1A1
Water SCHEMBL11465852 0.80 ALDH1A1 (0.37) TSHRALOX12ACHELMNAALDH1A1
SCHEMBL8154157 0.77 TP53 (0.39) TSHRALOX12ACHELMNAALDH1A1
Phenol SCHEMBL8514977 0.73 ALDH1A1 (0.32) TSHRALOX12ALDH1A1HSD17B10ALOX15

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 5 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