SCHEMBL5504639

SCHEMBL5504639

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.34

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
SCHEMBL1428431 0.82 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL8610770 0.82 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL65009 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27778816 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL6667949 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL29020705 0.79 TSHR (0.33) ALDH1A1TSHR
SCHEMBL9775693 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL21616688 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL20954076 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL20954079 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10THRB

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
US-20070240366-A1 Composition for Polishing NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2007-10-18 US disclosed
EP-1747849-A1 COMPOSITION FOR POLISHING Nissan Chemical Industries, Ltd. (JP) 2007-01-31 EP disclosed