SCHEMBL7839738

SCHEMBL7839738

O=C(O)CCNCCS(=O)(=O)CCCl

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
BBOX1 O75936 1/20 0.37
TSHR P16473 1/20 0.33
ECE1 P42892 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL7839615 0.89 APEX1 (0.43) APEX1BBOX1TSHR
SCHEMBL7760484 0.83
Hydrochloric Acid SCHEMBL7828492 0.81
SCHEMBL11335285 0.79 APEX1 (0.75) APEX1BBOX1TSHRPOLB
Hydrochloric Acid SCHEMBL10537638 0.77 APEX1 (0.71) APEX1BBOX1TSHRPOLB
SCHEMBL4660510 0.77
SCHEMBL8486084 0.75 APEX1 (0.42) APEX1ECE1
SCHEMBL9084614 0.75 APEX1 (0.54) APEX1BBOX1TSHRPOLB
SCHEMBL9337359 0.75
SCHEMBL8082063 0.74

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-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 EP disclosed
US-5770709-A BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 1998-06-23 US disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed