SCHEMBL5438010

SCHEMBL5438010

CC1=CC(OB(OC2C=C(C)CC(C)(C)C2)OC2C=C(C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL5441342 0.78 ACE2 (0.34) ACE2
SCHEMBL5439534 0.77 ACE2 (0.33) ACE2
SCHEMBL14325026 0.69 NFE2L2 (0.43) ACE2
SCHEMBL14325027 0.69 NFE2L2 (0.43) ACE2
SCHEMBL10768111 0.69 ACE2 (0.37) ACE2
SCHEMBL22125323 0.68
SCHEMBL13647434 0.67 ACE2 (0.36) ACE2
SCHEMBL21339654 0.67 ACE2 (0.36) ACE2
SCHEMBL1639680 0.67 ACE2 (0.40) ACE2
SCHEMBL6903853 0.67 ACE2 (0.36) ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004825-A1 Reactive diluents THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-01-04 US claimed
EP-1620443-A2 REACTIVE DILUENTS The University of Southern Mississippi Research Foundation (US) 2006-02-01 EP claimed
WO-2004099221-A2 REACTIVE DILUENTS THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-11-18 WO claimed
US-20070004825-A1 Reactive diluents THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-01-04 US disclosed
EP-1620443-A2 REACTIVE DILUENTS The University of Southern Mississippi Research Foundation (US) 2006-02-01 EP disclosed
WO-2004099221-A2 REACTIVE DILUENTS THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-11-18 WO disclosed