SCHEMBL13458179

SCHEMBL13458179

C=C(C)C(=O)OCC(=O)OC1CC(C)[C@@H](C)CC1OC(=O)CCC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 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
SCHEMBL13458185 0.89 TSHR (0.39) TSHRALDH1A1
SCHEMBL13458362 0.85 ALDH1A1 (0.37) TSHRALDH1A1THRB
SCHEMBL13458358 0.77 THRB (0.41) TSHRALDH1A1THRB
SCHEMBL13458357 0.76 ALDH1A1 (0.34) TSHRALDH1A1THRB
SCHEMBL1656329 0.74 ALDH1A1 (0.54) TSHRALDH1A1THRB
SCHEMBL14944749 0.73 ALDH1A1 (0.44) TSHRALDH1A1THRB
SCHEMBL13458361 0.72 CHRM2 (0.39) TSHRALDH1A1THRB
SCHEMBL8607188 0.70 ALDH1A1 (0.62) TSHRALDH1A1THRB
SCHEMBL12914686 0.70 ALDH1A1 (0.50) TSHRALDH1A1THRB
SCHEMBL13458178 0.70 THRB (0.43) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055621-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-04 — — US disclosed
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