SCHEMBL6856294

SCHEMBL6856294

CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC.Oc1ccc([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 1/20 0.38
TST Q16762 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6053918 0.84 ESR1 (0.34) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8042570 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL16715271 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL22689573 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL817218 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL2695290 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL30958372 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL2694955 0.82 DNM1 (0.41) TSHRDNM1
SCHEMBL12816913 0.81 ESR1 (0.30) ESR1ESR2
Trimethylammonium SCHEMBL7941120 0.80 KDM4E (0.32) CYP3A4KDM4EALDH1A1LMNAHIF1A

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-1054910-B1 IMPROVED OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-22 EP disclosed
US-6258902-B1 USING A METAL COMPLEX CATALYST AND AN ALKENYL CONTAINING HYDROCARBYLSILANE THE DOW CHEMICAL COMPANY 2001-07-10 US disclosed
EP-1054910-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2000-11-29 EP disclosed
US-6127563-A PREPARING BRIDGED GROUP 4 METAL COMPLEXES CONTAINING A NEUTRAL DIENE LIGAND STARTING FROM THE CORRESPONDING NOVEL, METAL DIENE CONTAINING COMPLEXES BY REACTION THEREOF WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND COMPOUND THE DOW CHEMICAL COMPANY (US) 2000-10-03 US disclosed
WO-1999041289-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-08-19 WO disclosed