SCHEMBL7074733

SCHEMBL7074733

OCCOCC[N]CCOCCO

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
Di(Hydroxyethyl)Ether SCHEMBL6259137 0.83
SCHEMBL9046102 0.82 MEN1 (0.41) TSHRMAPK1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL2410410 0.79 TSHR (1.00) TSHRMAPK1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL1462 0.79
SCHEMBL5110093 0.77
SCHEMBL10051525 0.77
Di(Hydroxyethyl)Ether SCHEMBL9850534 0.75 TSHR (0.91) TSHRMAPK1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL4438332 0.75 TSHR (0.91) TSHRMAPK1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL4106731 0.75
SCHEMBL4092706 0.75 MEN1 (1.00) TSHRMAPK1MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124903-B1 CATIONIC AZO-DYES BASF AG (DE) 2003-06-25 EP disclosed
US-6346609-B1 DISAZO DYES OR POLYAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed
EP-1124903-A1 CATIONIC AZO-DYES BASF AKTIENGESELLSCHAFT (DE) 2001-08-22 EP disclosed
EP-0955342-B1 Cationic azo dyes derived from aminobenzoic acid BASF AG (DE) 2001-07-11 EP disclosed
WO-2000027929-A1 CATIONIC AZO-DYES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
US-6048968-A CATIONIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
EP-0955342-A1 Cationic azo dyes derived from aminobenzoic acid BASF AKTIENGESELLSCHAFT (DE) 1999-11-10 EP disclosed
EP-0619346-B1 Lacquered tris-or tetracationic polymethin dyes BASF AG (DE) 1998-06-24 EP disclosed
EP-0435261-B1 4-Carbonyl-substituted coumarin compound MITSUI TOATSU CHEMICALS (JP) 1996-03-06 EP disclosed
US-5445672-A Used for pigmenting paints, printing inks and plastics BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0619346-A1 Lacquered tris-or tetracationic polymethin dyes BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed
US-5248784-A Photosensitivity in visible region MITSUI TOATSU CHEMICALS, INC. (JP) 1993-09-28 US disclosed
EP-0435261-A2 4-Carbonyl-substituted coumarin compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-03 EP disclosed