SCHEMBL8510432

SCHEMBL8510432

C[Al](c1ccccc1)c1ccccc1.[HH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 4/20 0.33
KCNN4 O15554 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
CA4 P22748 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL2976898 0.97 TSHR (0.39) TSHRACHELMNAALOX12APOBEC3A
Phosphonic Acid SCHEMBL23704360 0.81 NPSR1 (0.32) TSHROPRM1OPRL1ALDH1A1MEN1
SCHEMBL2968167 0.76
Hydrochloric Acid SCHEMBL15771658 0.73 TSHR (0.37) TSHRACHELMNAALOX12APOBEC3A
Hydrochloric Acid SCHEMBL6906610 0.73 TSHR (0.37) TSHRACHELMNAALOX12APOBEC3A
Bromide SCHEMBL15772385 0.73 TSHR (0.37) TSHRACHELMNAALOX12APOBEC3A
SCHEMBL9747871 0.71
SCHEMBL1624424 0.69
SCHEMBL2166400 0.69 ALDH1A1 (0.35) TSHRACHELMNAALOX12APOBEC3A
SCHEMBL6437540 0.69 OPRM1 (0.39) TSHRACHELMNAALOX12APOBEC3A

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 7 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
CN-1043999-C Bulk polymerization process of butadienes GOODYEAR TIRE & RUBBER (US) 1999-07-07 CN disclosed
CN-87101920-A butadiene bulk polymerization process 1987-12-09 CN disclosed