SCHEMBL6905749

SCHEMBL6905749

C=CC(=O)OCCC(CCOC(=O)C=C)(COC(C)=O)n1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL152168 0.84 TSHR (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL6903420 0.84 THRB (0.35) THRBTSHRALDH1A1
SCHEMBL7938501 0.79 TSHR (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6906483 0.78 TSHR (0.39) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8083935 0.73 THRB (0.35) THRBTSHR
SCHEMBL8996960 0.73
SCHEMBL9504845 0.72 TSHR (0.34) THRBTSHRHPGDALDH1A1TP53
SCHEMBL152169 0.72 TSHR (0.39) THRBTSHRHPGDALDH1A1TP53
SCHEMBL7640851 0.70 ALDH1A1 (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL149918 0.70 THRB (0.36) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742244-B1 Durable polysulfide composition for optical material MITSUI CHEMICALS INC (JP) 2004-08-11 EP disclosed
EP-0751161-B1 Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin MITSUI CHEMICALS INC (JP) 2003-01-02 EP disclosed
US-5955206-A POLYTHIOETHERS AND ACRYLATE OR VINYL GROUPS FOR CURING TO FORM OPTICAL LENSES MITSUI CHEMICALS, INC. (JP) 1999-09-21 US disclosed
US-5736609-A A POLYTHIO COMPOUND CONTAINING AT LEAST TWO MERCAPTO GROUPS, A POLYISO(THIO)CYANATE COMPOUND, AND A COMPOUND HAVING TWO OR MORE UNSATURATED REACTIVE GROUPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-07 US disclosed
EP-0751161-A2 Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-02 EP disclosed
EP-0742244-A2 Durable polysulfide composition for optical material MITSUI TOATSU CHEMICALS, INC. (JP) 1996-11-13 EP disclosed
EP-0243501-A1 CURABLE COMPOSITION AND METHOD FOR MOLDING IT SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-11-04 EP disclosed