SCHEMBL22484493

SCHEMBL22484493

CCOCCOC(=O)C(=C/C=C1\NCCN1C)C(=O)OCCOCC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ GAA P10253 1/20 0.32
▸ GLO1 Q04760 1/20 0.30
▸ POLB P06746 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
SCHEMBL19240005 0.77 THRB (0.38) THRBALDH1A1TSHRGAAGLO1
SCHEMBL19240047 0.76 THRB (0.37) THRBALDH1A1TSHRGAA
SCHEMBL11726017 0.69 HSD17B10 (0.38) ALDH1A1TSHRPOLB
SCHEMBL11726026 0.69 HSD17B10 (0.38) ALDH1A1TSHRPOLB
SCHEMBL19240093 0.69 ALDH1A1 (0.52) THRBALDH1A1TSHRGAAGLO1
SCHEMBL19240063 0.65 THRB (0.45) THRBALDH1A1TSHRGAAGLO1
SCHEMBL10766089 0.64 THRB (0.71) THRBALDH1A1TSHRGAA
SCHEMBL19240024 0.63 GLO1 (0.41) ALDH1A1GAAGLO1
SCHEMBL19239992 0.63 ALDH1A1 (0.43) ALDH1A1GAAGLO1POLB
SCHEMBL22092206 0.63 THRB (0.53) THRBALDH1A1TSHRGAAGLO1

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-2020196284-A1 ADHESIVE COMPOSITION 住友化学株式会社 2020-10-01 — — WO disclosed
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