Toluene

Toluene

SCHEMBL28401481

CCSC(C)CC=CC(C)=O.Cc1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR52 Q9Y2T5 2/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.33
CYP1B1 Q16678 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
SCHEMBL2990401 0.84 CHRNB2 (0.33) MAPT
SCHEMBL2990400 0.84 CHRNB2 (0.33) MAPT
SCHEMBL15944404 0.76 HPGD (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9621714 0.73 GLA (0.34) GLATDP1GPR52MAPTALDH1A1
SCHEMBL9621716 0.73 GLA (0.34) GLATDP1GPR52MAPTALDH1A1
SCHEMBL9298694 0.73 TSHR (0.38) TDP1MAPTALDH1A1LMNANPSR1
SCHEMBL9298692 0.73 TSHR (0.38) TDP1MAPTALDH1A1LMNANPSR1
SCHEMBL11291320 0.70 EPHX1 (0.39) ACHECES2
SCHEMBL11291324 0.70 EPHX1 (0.39) ACHECES2
SCHEMBL11293634 0.70 STAT3 (0.53) TDP1MAPTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024321-A Total synthesis method of clethodim 首建科技有限公司 2023-11-10 CN claimed
CN-117024321-A Total synthesis method of clethodim 首建科技有限公司 2023-11-10 CN disclosed
CN-111362850-B Improved process for carrying out cyclization and continuous feed apparatus therefor 内蒙古兰格生物科技有限公司 2021-05-11 CN disclosed
CN-211894484-U Continuous feeding device 内蒙古兰格生物科技有限公司 2020-11-10 CN disclosed
CN-111362850-A Improved process for carrying out cyclization and continuous feed apparatus therefor 内蒙古兰格生物科技有限公司 2020-07-03 CN disclosed
CN-111217729-A Preparation method and application of clethodim intermediate 山东润博生物科技有限公司 2020-06-02 CN disclosed
CN-111217728-A Synthetic method of clethodim intermediate 山东润博生物科技有限公司 2020-06-02 CN disclosed
CN-111217730-A Preparation method of clethodim and intermediate thereof 山东润博生物科技有限公司 2020-06-02 CN disclosed