Aluminum Chloride Anhydrous

Aluminum Chloride Anhydrous

SCHEMBL28825922

CC(C)C(C(=O)C(c1ccccc1)C(C)C)c1ccccc1.Cl[Al](Cl)Cl

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.44
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
FFAR2 O15552 3/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL28285858 0.92 CYP2D6 (0.58) CYP2D6KMT2AMEN1HDAC1HDAC3
Hydrochloric Acid SCHEMBL28825923 0.88 CYP2D6 (0.54) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL2444007 0.83 CYP2D6 (0.54) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL27851030 0.80 CYP2D6 (0.50) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL2644963 0.79 CYP2D6 (0.54) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL10582145 0.79 CYP2D6 (0.54) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL10981334 0.79 CYP2D6 (0.54) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL66944 0.79 CYP2D6 (0.73) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL5158960 0.79 CYP2D6 (0.73) CYP2D6KMT2AMEN1HDAC1HDAC3
SCHEMBL193565 0.79 CYP2D6 (0.73) CYP2D6KMT2AMEN1HDAC1HDAC3

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
CN-217323699-U Resourceful treatment device for alkaline hydrolysis wastewater in photoinitiator production 常州久日化学有限公司 2022-08-30 CN disclosed