SCHEMBL5436752

SCHEMBL5436752

C=CCCCC=CCOB(OCC=CCCCC=C)OCC=CCCCC=C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL5435527 0.82
SCHEMBL5436832 0.81
SCHEMBL2286811 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL534005 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL6731503 0.77 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL6731505 0.77 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL6720513 0.77 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL6720512 0.77 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL10883939 0.74 TSHR (0.35) TSHRALDH1A1
SCHEMBL5683577 0.74 TSHR (0.35) TSHRALDH1A1

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