SCHEMBL4544072

SCHEMBL4544072

ClC(Cl)C(Cl)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.34
KCNN4 O15554 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL4653328 0.77 KIF11 (0.35) TSHRKIF11
SCHEMBL8572359 0.74 TSHR (0.37) TSHRKIF11CYP1A2
SCHEMBL8077580 0.72 KIF11 (0.38) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL4367368 0.71 MAPK1 (0.42) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL16062155 0.68 ALDH1A1 (0.41) KIF11MAPK1KCNN4ALDH1A1CYP1A2
SCHEMBL8572747 0.68 ALDH1A1 (0.39) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL8813285 0.68 MAPK1 (0.39) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL6074049 0.67 TSHR (0.48) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL8973 0.66 KIF11 (0.48) TSHRKIF11MAPK1KCNN4ALDH1A1
SCHEMBL297786 0.66 MAPK1 (0.52) TSHRKIF11MAPK1KCNN4ALDH1A1

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-1713836-B1 PREPARATION METHOD OF POLYMERISATION CATALYST FOR PRODUCTION OF POLYETHYLENE WITH BROAD MOLECULAR WEIGHT DISTRIBUTION HANWHA CHEMICAL CORP (KR) 2014-12-24 EP claimed
EP-1539838-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-11-25 EP claimed
EP-1302480-B1 Catalyst percursor for homo-or copolymerization of olefins and polymerization process using that catalyst precursor SAUDI BASIC IND CORP SABIC (SA) 2004-08-11 EP claimed