SCHEMBL8772927

SCHEMBL8772927

C=C(C)C.CC=C(C)C(CO)OCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 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
Triethylene Glycol SCHEMBL7195508 0.74 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28114228 0.74 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9777305 0.73 MEN1 (0.42) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL9802787 0.72 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9356535 0.70 MEN1 (0.39) MEN1KMT2ATSHRMAPK1
SCHEMBL9774439 0.68 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12542548 0.68 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL2122131 0.68 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL28278117 0.68 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL4448069 0.68 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800506-A1 SOLVENTLESS PROCESS FOR MAKING 2,6-DIFLUOROBENZONITRILE DOWELANCO (US) 1997-10-15 EP disclosed
WO-1996020168-A1 SOLVENTLESS PROCESS FOR MAKING 2,6-DIFLUOROBENZONITRILE DOWELANCO (US) 1996-07-04 WO disclosed