SCHEMBL13458362

SCHEMBL13458362

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ TSHR P16473 3/20 0.35

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
SCHEMBL13458361 0.88 CHRM2 (0.39) ALDH1A1THRBCHRM2CHRM4CHRM1
SCHEMBL13458358 0.86 THRB (0.41) ALDH1A1THRBCHRM2CHRM4CHRM1
SCHEMBL13458178 0.85 THRB (0.43) ALDH1A1THRBCHRM2CHRM4CHRM1
SCHEMBL13458179 0.85 TSHR (0.35) ALDH1A1THRBTSHR
SCHEMBL13458359 0.83 ALDH1A1 (0.42) ALDH1A1THRBCHRM2CHRM4CHRM1
SCHEMBL14944749 0.76 ALDH1A1 (0.44) ALDH1A1THRBTSHR
SCHEMBL13457967 0.76 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL13458357 0.76 ALDH1A1 (0.34) ALDH1A1THRBTSHR
SCHEMBL13458363 0.75 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3TSHR
SCHEMBL13458356 0.72 CHRM2 (0.39) ALDH1A1CHRM2CHRM4CHRM1CHRM3

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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