SCHEMBL5162235

SCHEMBL5162235

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL777516 0.82 TSHR (0.44) TSHRALDH1A1HSD17B10TDP1
SCHEMBL3647936 0.78 TSHR (0.52) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL6072620 0.76 TSHR (0.50) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL27625172 0.74 TSHR (0.48) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL27442768 0.74 TSHR (0.54) TSHRALDH1A1THRBHSD17B10
SCHEMBL28031684 0.72 TSHR (0.47) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL1401838 0.72
SCHEMBL11372951 0.72 ALDH1A1 (0.58) TSHRALDH1A1
SCHEMBL15963 0.71 ALDH1A1 (0.61) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL28170047 0.71 ALDH1A1 (0.61) TSHRALDH1A1THRBHSD17B10TDP1

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-20070076072-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed
EP-1770131-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJIFILM Corporation (JP) 2007-04-04 EP disclosed
EP-0366491-A2 Liquid developers for electrophotography FUJI PHOTO FILM CO., LTD. (JP) 1990-05-02 EP disclosed
EP-0362804-A2 Electrophotographic photoreceptor FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP disclosed