Toluene

Toluene

SCHEMBL28333239

CCCCNC(=O)O.Cc1ccccc1

nearest known ligand 0.59

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
TSHR P16473 2/20 0.59
HPGD P15428 5/20 0.57
NAAA Q02083 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
EPHX1 P07099 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 2/20 0.51
ALB P02768 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
FBP1 P09467 1/20 0.50
PAX8 Q06710 1/20 0.49

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 SCHEMBL30957363 0.94 NAAA (0.62) HTTTSHRHPGDNAAAL3MBTL1
Toluene SCHEMBL30957366 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL30957374 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL30957319 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL30957338 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL30957355 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL30957356 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL27905670 0.93 NAAA (0.65) HTTHPGDNAAAL3MBTL1EPHX1
Toluene SCHEMBL28236425 0.88 LMNA (0.52) HTTTSHRHPGDNAAAL3MBTL1
Benzene SCHEMBL28333274 0.88 HTT (0.55) HTTTSHRHPGDNAAAEPHX1

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-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
CN-110546135-B Method for producing isocyanate 旭化成株式会社 2021-12-14 CN disclosed
CN-112020493-A Method for producing carbamate and method for producing isocyanate 旭化成株式会社 2020-12-01 CN disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed