SCHEMBL5716552

SCHEMBL5716552

CCCCNCC.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 5/20 0.38
SAT1 P21673 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
HRH4 Q9H3N8 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
TLR8 Q9NR97 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5715756 0.84 TSHR (0.56) TSHRMEN1KMT2AALDH1A1ADH1B
SCHEMBL5716279 0.82 TSHR (0.59) TSHRCYP2C19MEN1KMT2ACYP1A2
SCHEMBL5716118 0.82 TSHR (0.59) TSHRCYP2C19MEN1KMT2ACYP1A2
SCHEMBL36957 0.80
SCHEMBL5716271 0.79 TSHR (0.44) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL5716334 0.79 EPHX1 (0.50) TSHRMEN1KMT2AALDH1A1ADH1B
SCHEMBL11106382 0.77 TSHR (0.93) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL21065765 0.77
Hydrochloric Acid SCHEMBL22771964 0.77
Ammonia Solution, Strong SCHEMBL4387461 0.77

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
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
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
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