SCHEMBL19240047

SCHEMBL19240047

CCOCCOC(=O)C(=C/C=C1\OCCN1C)C(=O)OCCOCC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 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
SCHEMBL19239983 0.88 ALDH1A1 (0.45) ALDH1A1GAATSHR
SCHEMBL19240005 0.76 THRB (0.38) THRBALDH1A1GAATSHR
SCHEMBL22484493 0.76 THRB (0.38) THRBALDH1A1GAATSHR
SCHEMBL19240093 0.68 ALDH1A1 (0.52) THRBALDH1A1GAATSHR
SCHEMBL17445964 0.65 GLO1 (0.38) ALDH1A1GAA
SCHEMBL21128883 0.65 GLO1 (0.38) ALDH1A1GAA
SCHEMBL19240063 0.64 THRB (0.45) THRBALDH1A1GAATSHR
SCHEMBL10766089 0.63 THRB (0.71) THRBALDH1A1GAATSHR
SCHEMBL14653091 0.62 ALDH1A1 (0.55) THRBALDH1A1GAATSHRHTT
SCHEMBL19240024 0.62 GLO1 (0.41) ALDH1A1GAA

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-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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