SCHEMBL1507235

SCHEMBL1507235

CC(C)(C)c1ccc([NH3+])cc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)(c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL727142 1.00 TSHR (0.33) TSHRLMNATYRMEN1NPC1
SCHEMBL445651 0.75 TSHR (0.35) TSHRLMNATYRMEN1NPC1
SCHEMBL2589884 0.75 TSHR (0.35) TSHRLMNATYRMEN1NPC1
Methylamine SCHEMBL30379555 0.74
SCHEMBL15189744 0.72
SCHEMBL30680518 0.72
SCHEMBL727598 0.72
SCHEMBL3400476 0.72
Aniline SCHEMBL2045038 0.71
SCHEMBL1001859 0.70 KDM1A (0.35) TSHRLMNATYRMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300503-A2 FUNCTIONALIZED HIGH VINYL TERMINATED PROPYLENE BASED OLIGOMERS ExxonMobil Chemical Patents Inc. (US) 2011-03-30 EP disclosed
EP-2291419-A2 POLYMACROMONOMER AND PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2011-03-09 EP disclosed
EP-2288630-A2 HIGH VINYL TERMINATED PROPYLENE BASED OLIGOMERS ExxonMobil Chemical Patents Inc. (US) 2011-03-02 EP disclosed