SCHEMBL6791499

SCHEMBL6791499

CCCCC[Al-](CCCCC)(CCCCC)CCCCC.C[NH+](C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
DNM1 Q05193 2/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
KCNH2 Q12809 1/20 0.33
NAAA Q02083 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5716493 0.72 TSHR (0.50) DNM1MEN1KMT2ASMN1; SMN2
Heptane SCHEMBL25329708 0.72 SOAT1 (0.33) CES2CES1DNM1MEN1TP53
SCHEMBL6694446 0.71 LMNA (0.32)
SCHEMBL5715541 0.69 TSHR (0.57) DNM1MEN1KMT2A
SCHEMBL5716040 0.69 TSHR (0.57) DNM1MEN1KMT2A
SCHEMBL5716115 0.69 TSHR (0.57) DNM1MEN1KMT2A
SCHEMBL5715997 0.69 TSHR (0.57) DNM1MEN1KMT2A
SCHEMBL9463668 0.69 TSHR (0.35) LTA4HSIGMAR1CES2CES1MEN1
Lithium Ion SCHEMBL8458577 0.67 TSHR (0.53) DNM1MEN1KMT2A
Lithium Ion SCHEMBL8463602 0.67 TSHR (0.53) DNM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed