SCHEMBL7758420

SCHEMBL7758420

[CH2]C(C)N(CCOCCO)CCOCCO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7070118 0.98 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL15267207 0.82 TSHR (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL22215209 0.77 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7074175 0.76 MAPT (0.38) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL15253572 0.75 TSHR (0.45) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL9660045 0.73 TSHR (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL15463763 0.72 TSHR (0.71) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2058303 0.71 TSHR (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL12847444 0.71 TSHR (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL8773294 0.71 TSHR (0.59) TSHRMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949300-B1 Cationic azo dyestuffs containing sulfonic-acid groups BASF AG (DE) 2001-07-25 EP disclosed
EP-1086180-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 EP disclosed
US-6048969-A DISAZO DYE CATIONIC DYES BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
WO-1999064520-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 WO disclosed
EP-0949300-A1 Cationic azo dyestuffs containing sulfonic-acid groups BASF AKTIENGESELLSCHAFT (DE) 1999-10-13 EP disclosed
US-5750661-A CATIONIC DYE FOR COLORING PAPER, SYNTHETIC POLYMER TEXTILES OR NATURAL FIBERS; CHEMICAL RESISTANCE, COLOR/WASHFASTNESS, SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
EP-0594037-B1 Basic dyes based on amides of I-acid (1-hydroxy-6-aminonaphthalene-3-sulfonic acid) and amides of I-acid BASF AG (DE) 1997-09-24 EP disclosed
US-5571898-A Basic dyes based on amides of j-acid (1-hydroxy-6-aminonaphthalene-3-sulfonic acid) and amides of j-acid BASF AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
EP-0666287-A2 Basic dyes based on amides of the 1-hydroxy-6-aminonaphthalene-3-sulfonic acid and intermediates thereof BASF AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
EP-0594037-A1 Basic dyes based on amides of I-acid (1-hydroxy-6-aminonaphthalene-3-sulfonic acid) and amides of I-acid BASF Aktiengesellschaft (DE) 1994-04-27 EP disclosed