SCHEMBL6694445

SCHEMBL6694445

Cc1cccc([NH3+])c1C.F[Al-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CD44 P16070 1/20 0.31
HTR2C P28335 1/20 0.31
ADRB1 P08588 1/20 0.31
AHR P35869 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
SCHEMBL28411487 0.86 TRPA1 (0.41) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL4630491 0.80 TRPA1 (0.33) TRPA1ATMACHE
SCHEMBL5166755 0.77 TRPA1 (0.34) TRPA1ATMCYP2A6CYP1A2ACHE
SCHEMBL17387194 0.76 ACHE (0.40) TRPA1ATMTSHRACHESMN1; SMN2
SCHEMBL148465 0.76 TRPA1 (0.33) TRPA1ATMTSHRACHESMN1; SMN2
SCHEMBL5167013 0.76 RAPGEF4 (0.37) TRPA1ATMACHERAPGEF4
SCHEMBL2124266 0.74 ACHE (0.38) TRPA1ATMCYP2A6CYP1A2ACHE
SCHEMBL5048899 0.74 MEN1 (0.37) TRPA1ATMTSHRACHEALDH1A1
SCHEMBL1899051 0.74 TRPA1 (0.35) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL5080684 0.73 CYP1A2 (0.35) TRPA1ATMCYP2A6CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004514033-A 2004-05-13 JP claimed
EP-1334137-A2 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION Univation Technologies LLC (US) 2003-08-13 EP claimed
US-6605563-B1 Bulky ligand metallocene catalyst, an alumoxane activator, a Group 13 element containing first modifier, and a cycloalkadiene second modifier UNIVATION TECHNOLOGIES, LLC 2003-08-12 US claimed
US-20030149202-A1 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION KAO SUN-CHUEH (US) 2003-08-07 US claimed
US-6552137-B1 Polymerization olefin(s) in the presence of a catalyst system comprising: bulky ligand metallocene catalyst compound; first modifier comprising a Group 13 element containing compound; second modifier comprising a cycloalkadiene and activator UNIVATION TECHNOLOGIES, LLC 2003-04-22 US claimed
WO-2002040555-A2 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION UNIVATION TECHNOLOGIES, LLC (US) 2002-05-23 WO claimed
EP-1366089-A2 A METHOD FOR PREPARING A CATALYST COMPOSITION AND ITS USE IN A POLYMERIZATION PROCESS Univation Technologies LLC (US) 2003-12-03 EP disclosed
US-20030203809-A1 Method for preparing a catalyst composition and its use in a polymerization process KAO SUN-CHUEH (US) 2003-10-30 US disclosed
EP-1334137-A2 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION Univation Technologies LLC (US) 2003-08-13 EP disclosed
US-6605563-B1 Bulky ligand metallocene catalyst, an alumoxane activator, a Group 13 element containing first modifier, and a cycloalkadiene second modifier UNIVATION TECHNOLOGIES, LLC 2003-08-12 US disclosed
US-20030149202-A1 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION KAO SUN-CHUEH (US) 2003-08-07 US disclosed
US-6552137-B1 Polymerization olefin(s) in the presence of a catalyst system comprising: bulky ligand metallocene catalyst compound; first modifier comprising a Group 13 element containing compound; second modifier comprising a cycloalkadiene and activator UNIVATION TECHNOLOGIES, LLC 2003-04-22 US disclosed
WO-2002040555-A2 CATALYST SYSTEM AND ITS USE IN OLEFIN POLYMERIZATION UNIVATION TECHNOLOGIES, LLC (US) 2002-05-23 WO disclosed
WO-2002040549-A2 A METHOD FOR PREPARING A CATALYST COMPOSITION AND ITS USE IN A POLYMERIZATION PROCESS UNIVATION TECHNOLOGIES, LLC (US) 2002-05-23 WO disclosed