SCHEMBL1446038

SCHEMBL1446038

Clc1cc(Br)c(Cl)c(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.46
TSHR P16473 4/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
AHR P35869 11/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CASP1 P29466 1/20 0.36
AKR1B1 P15121 1/20 0.33
CYP1B1 Q16678 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
Pentachlorobenzene SCHEMBL11455164 0.75 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRHSP90AA1
Pentachlorobenzene SCHEMBL183144 0.75 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL30007490 0.73 TSHR (0.41) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL30293826 0.73 ALDH1A1 (0.61) CYP3A4HPGDHSD17B10TSHRALDH1A1
SCHEMBL31214036 0.73 AHR (0.35) CYP3A4ALDH1A1AHR
SCHEMBL23327014 0.73 TSHR (0.41) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL6500390 0.73 ALDH1A1 (0.61) CYP3A4HPGDHSD17B10TSHRALDH1A1
SCHEMBL3850787 0.72 AHR (0.58) CYP3A4TSHRALDH1A1MAPK1AHR
SCHEMBL11281295 0.72 AHR (0.58) CYP3A4HPGDHSD17B10TSHRALDH1A1
Pentachlorobenzene SCHEMBL29897265 0.72 CYP3A4 (0.92) CYP3A4HPGDHSD17B10TSHRHSP90AA1

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 11 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
US-20090270247-A1 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 US claimed
WO-2009132240-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 WO 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
EP-0109606-B1 PROCESS FOR THE FORMYLATION OF ARYL HALIDES BAYER AG (DE) 1986-01-22 EP disclosed
US-4536344-A USING A PHOSPINE OR PHOSPHITE BAYER AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
EP-0109606-A1 Process for the formylation of aryl halides BAYER AG (DE) 1984-05-30 EP disclosed