SCHEMBL13458358

SCHEMBL13458358

C=C(C)C(=O)OCCC(=O)OC1CC(C)[C@@H](C)CC1OC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 2/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ EPHX1 P07099 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
SCHEMBL13458178 0.88 THRB (0.43) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL13458362 0.86 ALDH1A1 (0.37) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL13458361 0.85 CHRM2 (0.39) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL13458359 0.81 ALDH1A1 (0.42) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL13458357 0.80 ALDH1A1 (0.34) THRBTSHRALDH1A1
SCHEMBL13458179 0.77 TSHR (0.35) THRBTSHRALDH1A1
SCHEMBL13458185 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL13457967 0.74 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL15219199 0.73 THRB (0.38) THRBTSHRALDH1A1
SCHEMBL13458363 0.73 CHRM2 (0.35) TSHRCHRM2CHRM4CHRM1CHRM3

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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