SCHEMBL21914857

SCHEMBL21914857

C=CC(=O)OCC(O)COC(=O)c1ccccc1C(=O)OCC(O)COC(=O)C(C)(C)CC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.46
ADRB1 P08588 14/20 0.46
ADRB3 P13945 14/20 0.46
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL1104109 0.86 TSHR (0.49) TSHRALDH1A1CYP3A4
SCHEMBL5035248 0.86 TSHR (0.53) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL25945362 0.86 TSHR (0.42) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL2742143 0.83 ADRB2 (0.63) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL21699774 0.82 TSHR (0.54) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL27993932 0.82 ADRB2 (0.51) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL2742406 0.82 ALDH1A1 (0.40) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL22667593 0.81 TSHR (0.53) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL1104124 0.81 CYP3A4 (0.45) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL21603040 0.81 ALDH1A1 (0.49) ADRB2ADRB1ADRB3TSHRALDH1A1

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
WO-2020059603-A1 IMPRINTING LAMINATED BODY, METHOD FOR MANUFACTURING IMPRINTING LAMINATED BODY, METHOD FOR FORMING PATTERN, AND KIT 富士フイルム株式会社 2020-03-26 WO disclosed