Toluene

Toluene

SCHEMBL5025517

CCC(C)C.Cc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
ACHE P22303 2/20 0.61
ALOX12 P18054 1/20 0.61
TRPA1 O75762 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 4/20 0.37
SLC6A2 P23975 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 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 SCHEMBL8151758 1.00 LMNA (0.61) LMNATSHRACHEALOX12TRPA1
Toluene SCHEMBL8159259 1.00 LMNA (0.61) LMNATSHRACHEALOX12TRPA1
Toluene SCHEMBL4008030 0.84 LMNA (0.55) LMNATSHRACHEALOX12TRPA1
Toluene SCHEMBL11504845 0.83 LMNA (0.61) LMNATSHRACHEALOX12SMN1; SMN2
Toluene SCHEMBL27577621 0.83 LMNA (0.61) LMNATSHRACHEALOX12TRPA1
Toluene SCHEMBL29085727 0.82 LMNA (0.52) LMNATSHRACHEALOX12TRPA1
Toluene SCHEMBL28550872 0.82 LMNA (0.52) LMNATSHRACHEALOX12TRPA1
Toluene SCHEMBL16654284 0.82 LMNA (0.52) LMNATSHRACHEALOX12SMN1; SMN2
Toluene SCHEMBL1406204 0.82 LMNA (0.52) LMNATSHRACHEALOX12SMN1; SMN2
Toluene SCHEMBL6697996 0.82 ACHE (0.79) LMNATSHRACHEALOX12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1277211-A Molecular weight of polymer produced by single-point catalyst control and method of molecular weight distrubution UNION CARBIDE CHEM PLASTIC (US) 2000-12-20 CN claimed
EP-1054025-A1 Method for controlling molecular weight and molecular weight distribution in polymers produced using a single site catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-11-22 EP claimed
US-11177021-B2 Apparatus and computerized method for predicting asphaltene precipitation based on aggregation thermodynamics TEXAS TECH UNIVERSITY SYSTEM (US) 2021-11-16 US disclosed
US-20180314806-A1 Apparatus and Computerized Method for Predicting Asphaltene Precipitation Based on Aggregation Thermodynamics TEXAS TECH UNIVERSITY SYSTEM 2018-11-01 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
CN-1277211-A Molecular weight of polymer produced by single-point catalyst control and method of molecular weight distrubution UNION CARBIDE CHEM PLASTIC (US) 2000-12-20 CN disclosed
EP-1054025-A1 Method for controlling molecular weight and molecular weight distribution in polymers produced using a single site catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-11-22 EP disclosed
US-5834571-A PROVIDING AT LEAST ONE LIQUID IN POLYMERIZATION ZONE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-11-10 US disclosed
EP-0773963-A1 GAS PHASE POLYMERIZATION PROCESS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-21 EP disclosed
EP-0773964-A1 GAS PHASE PRODUCTION OF POLYDIENES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-21 EP disclosed
WO-1996004322-A1 GAS PHASE PRODUCTION OF POLYDIENES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-02-15 WO disclosed
WO-1996004321-A1 GAS PHASE POLYMERIZATION PROCESS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-02-15 WO disclosed