SCHEMBL27664151

SCHEMBL27664151

C=CC(=O)OC(/C(=C/C(=O)O)C(=O)O)C(C)CC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL28104743 0.80 TSHR (0.34) TSHRHPGD
SCHEMBL21834487 0.77 TSHR (0.37) TSHR
SCHEMBL11145949 0.71 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494343 0.70 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL8610613 0.70 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28137784 0.69 HCAR2 (0.50) TSHRHPGDALDH1A1
SCHEMBL29054544 0.68 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494265 0.68 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494004 0.68 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6567403 0.68 TSHR (0.35) TSHRHPGD

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
CN-100400604-C Pigment dispersion liquid, method for producing the same, colored resin composition, color filter, and liquid crystal display MITSUBISHI CHEM CORP (JP) 2008-07-09 CN disclosed
CN-1867640-A Pigment dispersion liquid, method for producing the same, colored resin composition, color filter, and liquid crystal display MITSUBISHI CHEM CORP (JP) 2006-11-22 CN disclosed