SCHEMBL1446262

SCHEMBL1446262

Clc1ccc([Mg]Br)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
AHR P35869 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.31

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
SCHEMBL164659 0.77 TSHR (0.42) CYP3A4TDP1CYP2A6
SCHEMBL1445737 0.76 CYP3A4 (0.42) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL1445755 0.74 CYP3A4 (0.50) CYP3A4MAPK1AHR
Bromide SCHEMBL1445757 0.74 CYP3A4 (0.40) CYP3A4MAPK1AHRTDP1CYP2A6
Hydrochloric Acid SCHEMBL1445745 0.74 CYP3A4 (0.40) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL348089 0.72 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL29368277 0.72 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
Methane SCHEMBL23466796 0.69 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL3029303 0.67 TSHR (0.48) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL29719532 0.65

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
US-8609574-B2 In situ olefin polymerization catalyst system PROMERUS LLC (US) 2013-12-17 US claimed
EP-2296811-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM Promerus, LLC (US) 2011-03-23 EP claimed
WO-2009132240-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 WO claimed
US-20090270247-A1 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 US claimed
US-8609574-B2 In situ olefin polymerization catalyst system PROMERUS LLC (US) 2013-12-17 US disclosed
EP-2296811-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM Promerus, LLC (US) 2011-03-23 EP disclosed
US-20090270247-A1 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 US disclosed
WO-2009132240-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 WO disclosed