Toluene

Toluene

SCHEMBL3828832

Cc1ccccc1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
ACHE P22303 1/20 0.61
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
PLA2G10 O15496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PARP1 P09874 3/20 0.40
TNKS2 Q9H2K2 2/20 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
Toluene SCHEMBL21981709 1.00 LMNA (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL27518023 0.79 ACHE (0.73) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL7662176 0.78
Toluene SCHEMBL4429042 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL8824270 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL175861 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
SCHEMBL12344943 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
SCHEMBL12344964 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL4535818 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD
Toluene SCHEMBL8938900 0.78 ACHE (1.00) LMNATSHRALOX12ACHEHPGD

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586473-A Polyisocyanurate based polymer and fiber reinforced composite 三聚体科技有限责任公司 2024-02-23 CN disclosed
CN-113811574-B Polyisocyanurate based polymer and fiber reinforced composite 三聚体科技有限责任公司 2023-11-28 CN disclosed
US-11702499-B2 Polyisocyanurate based polymers and fiber reinforced composites TRIMER TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20220153905-A1 Polyisocyanurate Based Polymers and Fiber Reinforced Composites TRIMER TECHNOLOGIES, LLC. 2022-05-19 US disclosed
CN-113811574-A Polyisocyanurate-based polymer and fiber-reinforced composite material 三聚体科技有限责任公司 2021-12-17 CN disclosed
US-11180599-B2 Polyisocyanurate based polymers and fiber reinforced composites TRIMER TECHNOLOGIES, LLC (US) 2021-11-23 US disclosed
EP-3894478-A1 POLYISOCYANURATE BASED POLYMERS AND FIBER REINFORCED COMPOSITES Trimer Technologies, LLC (US) 2021-10-20 EP disclosed
EP-3560730-B1 TIRE BRIDGESTONE CORP (JP) 2021-02-24 EP disclosed
US-20210002409-A1 Polyisocyanurate Based Polymers and Fiber Reinforced Composites TRIMER TECHNOLOGIES, LLC 2021-01-07 US disclosed
WO-2020123640-A1 POLYISOCYANURATE BASED POLYMERS AND FIBER REINFORCED COMPOSITES SODANO HENRY A (US) 2020-06-18 WO disclosed
US-6515125-B1 Storage-stability, also urethane prepolymers BAYER CORPORATION 2003-02-04 US disclosed
US-20030013834-A1 LIQUID PARTIALLY TRIMERIZED POLYISOCYANATES BASED ON TOLUENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE BAYER MATERIALSCIENCE LLC 2003-01-16 US disclosed
WO-2002072656-A2 LIQUID PARTIALLY TRIMERIZED POLYISOCYNATES BASED ON TOULENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE BAYER POLYMERS LLC (US) 2002-09-19 WO disclosed
EP-1059346-A1 ADHESIVE COMPOSITION, RESIN MATERIAL, RUBBER ARTICLE AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2000-12-13 EP disclosed
US-6063891-A PREPOLYMER OF ALLOPHANATE-MODIFIED, PARTIALLY TRIMERIZED TOLUENE DIISOCYANATE AND ISOCYANATE-REACTIVE POLYOL BAYER CORPORATION (US) 2000-05-16 US disclosed
US-6063891-A PREPOLYMER OF ALLOPHANATE-MODIFIED, PARTIALLY TRIMERIZED TOLUENE DIISOCYANATE AND ISOCYANATE-REACTIVE POLYOL BAYER CORPORATION (US) 2000-05-16 US disclosed
US-6028158-A Freeze-stable allophanate-modified toluene diisocyanate trimers BAYER CORPORATION (US) 2000-02-22 US disclosed
US-6028158-A Freeze-stable allophanate-modified toluene diisocyanate trimers BAYER CORPORATION (US) 2000-02-22 US disclosed
WO-1998008904-A1 ELECTRODEPOSITABLE COATING COMPOSITIONS CONTAINING HYDROXAMIC ACID AND DERIVATIVES THEREOF, AND THEIR USE IN A METHOD OF ELECTRODEPOSITION PPG INDUSTRIES, INC. (US) 1998-03-05 WO disclosed
US-4136081-A 2,2,6,6-TETRAMETHYL-4-PIPERIDYL CARBOXYLIC ACID ESTERS OF ALIPHATIC TETRACARBOXYLIC ACIDS AS STABILIZERS FOR SYNTHETIC POLYMERS ARGUS CHEMICAL CORPORATION (US) 1979-01-23 US disclosed