SCHEMBL5716178

SCHEMBL5716178

CCCCC(CC)CC[B-](CCC(CC)CCCC)(CCC(CC)CCCC)CCC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 4/20 0.50
TSHR P16473 4/20 0.50
CA2 P00918 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.36
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 1/20 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
SCHEMBL3884493 0.84 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4TSHRCA2
Water SCHEMBL9947734 0.81 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL524297 0.81 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4653062 0.81 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL14125867 0.78 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL995142 0.78 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL5001053 0.78 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL382576 0.78 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28134078 0.78 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL387001 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661900-A1 Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them ExxonMobil Chemical Patents Inc. (US) 2006-05-31 EP disclosed
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed
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
EP-1252166-A1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXON CHEMICAL PATENTS INC. (US) 2002-10-30 EP 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
WO-2001042249-A1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 COMPOUNDS AND PROCESSES USING THEM EXXON CHEMICAL PATENTS INC. (US) 2001-06-14 WO disclosed