SCHEMBL6168323

SCHEMBL6168323

CCCCOC[CH]CCOC(C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP3A4 P08684 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
SCHEMBL15212337 0.79 TSHR (0.42) TSHRCYP3A4
SCHEMBL8419756 0.78 TSHR (0.43) TSHRCYP3A4
SCHEMBL10817849 0.78 TSHR (0.38) TSHRCYP3A4
SCHEMBL9188381 0.77 HSD17B10 (0.33) TSHR
SCHEMBL615634 0.76 TSHR (0.48) TSHRCYP3A4
SCHEMBL5949238 0.75 TSHR (0.41) TSHR
SCHEMBL15761345 0.74 TSHR (0.48) TSHRCYP3A4
SCHEMBL20825331 0.74 TSHR (0.48) TSHRCYP3A4
SCHEMBL4838940 0.74 TSHR (0.48) TSHRCYP3A4
SCHEMBL17640888 0.74 TSHR (0.48) TSHRCYP3A4

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-1513841-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-03-16 EP disclosed
WO-2003104232-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-12-18 WO disclosed
US-5484460-A FOR USE IN DYEING OR PRINTING TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed