SCHEMBL6459037

SCHEMBL6459037

[CH]1C(CCCC2=Cc3c(C4CCC4)ccc(C4CCC4)c3[CH]2)=Cc2c(C3CCC3)ccc(C3CCC3)c21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.31
BACE1 P56817 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
SCHEMBL6459758 0.96 NUDT1 (0.34) NUDT1BACE1
SCHEMBL6465160 0.95 NUDT1 (0.36) NUDT1BACE1
SCHEMBL6459033 0.67
SCHEMBL6459756 0.63 CEL (0.31) NUDT1BACE1
SCHEMBL6465154 0.62 CEL (0.33) NUDT1BACE1
SCHEMBL2854863 0.60 CEL (0.33)
SCHEMBL9322592 0.57 PTGS2 (0.36)
SCHEMBL10596917 0.56 NUDT1 (0.77) NUDT1BACE1
SCHEMBL6459763 0.55 CEL (0.33)
SCHEMBL2913620 0.55 CHRNB4 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049704-B1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS BASELL POLYOLEFINE GMBH (DE) 2005-07-27 EP disclosed
US-6433203-B1 COORDINATION POLYMERIZATION CATALYST; ALPHA-OLEFIN POLYMER BASELL TECHNOLOGY COMPANY BV (NL) 2002-08-13 US disclosed