SCHEMBL2942853

SCHEMBL2942853

CCC(C)OCCOCCOCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLP1R P43220 3/20 0.30
KDM4E B2RXH2 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
SCHEMBL2946671 1.00 ALDH1A1 (0.34) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL2950098 0.98 TSHR (0.35) ALDH1A1TSHREPHX2PTGS1
SCHEMBL2943229 0.85 FFAR3 (0.34) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL2948136 0.85 FFAR3 (0.34) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL2943949 0.85 FFAR3 (0.34) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL12119519 0.82 TDP1 (0.41) TSHREPHX2HSD17B10
SCHEMBL2946936 0.82 EPHX2 (0.35) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL2950439 0.82 EPHX2 (0.35) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL20175905 0.82 EPHX2 (0.35) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL20175906 0.82 EPHX2 (0.35) ALDH1A1TSHREPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 EP disclosed