Toluene

Toluene

SCHEMBL28166100

CCCS(=O)(=O)O.Cc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
ACHE P22303 2/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 2/20 0.41
PSIP1 O75475 1/20 0.40
RECQL P46063 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 2/20 0.37
BCHE P06276 1/20 0.37

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
Toluene SCHEMBL27457082 0.88 TSHR (0.42) LMNATSHRACHEALOX12GAA
Toluene SCHEMBL16986055 0.88 PTGS1 (0.37) LMNATSHRACHEALOX12GAA
Toluene SCHEMBL27810041 0.87 LMNA (0.55) LMNATSHRACHEALOX12PSIP1
Toluene SCHEMBL11498470 0.86 CA12 (0.42) LMNATSHRACHEALOX12CES2
M-Xylene SCHEMBL31454339 0.86 ACHE (0.48) LMNAACHEKMT2ATDP1
O-Xylene SCHEMBL27598736 0.85 TSHR (0.43) TSHRACHEGAAPSIP1KMT2A
Toluene SCHEMBL28083276 0.85 CA12 (0.41) LMNATSHRACHEALOX12CES2
Toluene SCHEMBL27824434 0.85 LMNA (0.52) LMNATSHRACHEALOX12PSIP1
Toluene SCHEMBL29170928 0.83 NAAA (0.42) CES2CES1CA12CA9L3MBTL1
Phenol SCHEMBL17102999 0.83 CA12 (0.46) LMNATSHRGAAPSIP1RECQL

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-108690217-A Carbon fiber recycles composition and method 波音公司 2018-10-23 CN claimed
CN-108886175-A Silicon substrate solid electrolyte for rechargeable batteries 巴斯夫公司 2018-11-23 CN disclosed
CN-108690217-A Carbon fiber recycles composition and method 波音公司 2018-10-23 CN disclosed
CN-107004912-A Electrolyte and metal hydride battery 巴斯夫公司 2017-08-01 CN disclosed