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SCHEMBL22430779

SCHEMBL22430779

C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NCC1(C)CC(NC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CC(C)(C)C1)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ THRB P10828 1/20 0.33

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
SCHEMBL13618830 0.97 TSHR (0.59) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL22430776 0.96 TSHR (0.52) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL21732209 0.94 TSHR (0.51) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL25514840 0.94 TSHR (0.56) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL24433056 0.93 TSHR (0.55) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL20850767 0.93 TSHR (0.55) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL25156776 0.93 TSHR (0.55) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL25700586 0.93 TSHR (0.67) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL23953329 0.92 TSHR (0.50) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL21311489 0.92 TSHR (0.50) TSHRALDH1A1TP53CYP3A4MAPK1

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-11003102-B2 Electrophotographic image forming apparatus and process cartridge CANON KABUSHIKI KAISHA (JP) 2021-05-11 — — US disclosed
US-20200292949-A1 ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE CANON KABUSHIKI KAISHA (JP) 2020-09-17 — — US disclosed