SCHEMBL17443155

SCHEMBL17443155

O=S(=O)(OCCO)OCCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
CA9 Q16790 8/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
MAPK1 P28482 1/20 0.32
MEN1 O00255 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
SCHEMBL710962 0.95 CA1 (0.39) CA1CA2CA9TSHRKDM4E
SCHEMBL700472 0.89 TSHR (0.39) CA1CA2CA9TSHRKDM4E
SCHEMBL923072 0.86 CA1 (0.43) CA1CA2CA9TSHRKDM4E
Ammonia Solution, Strong SCHEMBL15061379 0.86 TSHR (0.37) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL1896071 0.84 CA1 (0.46) CA1CA2CA9TSHRKDM4E
SCHEMBL27894137 0.83 CA1 (0.52) CA1CA2CA9TSHRKDM4E
SCHEMBL28868509 0.82 CA1 (0.35) CA1CA2CA9TSHRKDM4E
Methoxymethane SCHEMBL28246973 0.81 TSHR (0.33) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL701818 0.80 CA1 (0.33) CA1CA2CA9TSHRKDM4E
SCHEMBL1707113 0.80 TSHR (0.39) CA1CA2CA9TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198238-A1 FABRIC-SOFTENING COMPOSITION COMPRISING AN HEUR THICKENER COATEX (FR) 2017-07-13 US disclosed
EP-3169761-A1 FABRIC SOFTENING COMPOSITION COMPRISING A HEUR THICKENER COATEX (FR) 2017-05-24 EP disclosed
EP-3169764-A1 FABRIC SOFTENING COMPOSITION COMPRISING A HEUR THICKENER COATEX (FR) 2017-05-24 EP disclosed
US-20170137751-A1 FABRIC SOFTENING COMPOSITION COMPRISING A HEUR THICKENER COATEX (FR) 2017-05-18 US disclosed
WO-2016009150-A1 FABRIC SOFTENING COMPOSITION COMPRISING A HEUR THICKENER COATEX (FR) 2016-01-21 WO disclosed
WO-2016009149-A1 FABRIC SOFTENING COMPOSITION COMPRISING A HEUR THICKENER COATEX (FR) 2016-01-21 WO disclosed