Toluene

Toluene

SCHEMBL28861237

C[SiH](C)c1ccccc1.Cc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
ALOX12 P18054 1/20 0.61
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL55166 0.88
SCHEMBL2799322 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
SCHEMBL27876203 0.85
Fluoride SCHEMBL27669402 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
SCHEMBL16286660 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
SCHEMBL14875991 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
Ammonia Solution, Strong SCHEMBL11519580 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
SCHEMBL4517726 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
Hydrochloric Acid SCHEMBL11803910 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1
SCHEMBL2799326 0.85 TSHR (0.37) ACHETSHRLMNAALOX12TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215954-B Method for preparing polysorbate based on in-situ group transfer polymerization 长春理工大学 2023-11-28 CN claimed
CN-115215954-A Method for preparing polysorbate based on in-situ group transfer polymerization 长春理工大学 2022-10-21 CN claimed
CN-115215954-B Method for preparing polysorbate based on in-situ group transfer polymerization 长春理工大学 2023-11-28 CN disclosed
CN-115215954-A Method for preparing polysorbate based on in-situ group transfer polymerization 长春理工大学 2022-10-21 CN disclosed