SCHEMBL6259131

SCHEMBL6259131

CCCCC1=Cc2c(-c3ccc(CCC)cc3)cccc2C1[Zr](C(O)CO)C1C(CCCC)=Cc2c(-c3ccc(CCC)cc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 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
SCHEMBL28779214 0.77 HSD11B1 (0.33) BRS3
SCHEMBL27537527 0.77 HSD11B1 (0.38)
Hydrochloric Acid SCHEMBL27464018 0.76 HSD11B1 (0.32) BRS3
Ethylene Glycol SCHEMBL6259128 0.76 BRS3 (0.33) BRS3
SCHEMBL7037024 0.75 HSD11B1 (0.34) BRS3
SCHEMBL6251941 0.75
SCHEMBL7109568 0.74 TLR8 (0.31)
SCHEMBL27513836 0.73 TLR8 (0.33)
SCHEMBL27524734 0.73 BCHE (0.33)
SCHEMBL6687090 0.73 PDCD1 (0.35)

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-1313747-B1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2005-04-20 EP disclosed
EP-1313747-A1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS Basell Polypropylen GmbH (DE) 2003-05-28 EP disclosed
WO-2002018397-A1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYPROPYLEN GMBH (DE) 2002-03-07 WO disclosed