SCHEMBL7709947

SCHEMBL7709947

C=CC(=O)OC(C)SC(C)SC(C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.32
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL672391 0.91 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2432049 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL673221 0.87 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21385196 0.85 TSHR (0.39) TSHRHPGD
SCHEMBL4307337 0.84 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29134968 0.83 TSHR (0.39) TSHRHPGD
SCHEMBL21624969 0.80 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2435317 0.80
SCHEMBL28029833 0.78 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7563890 0.77 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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
US-6369269-B2 Thiol and sulfur-containing O-(meth)acrylate compounds and use thereof MITSUI CHEMICALS, INC. (JP) 2002-04-09 US disclosed
US-6265510-B1 OPTICS; LENSES MITSUI CHEMICALS, INC. (JP) 2001-07-24 US disclosed
US-6114485-A STARTING MATERIAL FOR A RESIN COMPOSITION USED IN OPTICAL APPLICATIONS SUCH AS A LENS MITSUI CHEMICALS, INC. (JP) 2000-09-05 US disclosed
US-5916987-A OPTICAL RESIN; LENSES MITSUI CHEMICALS, INC. (JP) 1999-06-29 US disclosed