Toluene

Toluene

SCHEMBL8412975

BrC(c1ccccc1)c1ccccc1.Cc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
ALOX12 P18054 1/20 0.58
ACHE P22303 1/20 0.58
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TRPA1 O75762 1/20 0.41
ACP3 P15309 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL1272990 0.92 LMNA (0.48) LMNATSHRALOX12ACHECES2
SCHEMBL7518652 0.86 ACP3 (0.50) LMNATSHRALOX12ACHEACP3
SCHEMBL67123 0.86 CES2 (0.50) LMNATSHRCES2CES1TRPA1
SCHEMBL12880577 0.83 CES2 (0.48) LMNATSHRCES2CES1TRPA1
SCHEMBL3295160 0.80 ACHE (0.50) LMNATSHRALOX12ACHE
Toluene SCHEMBL28367651 0.80 ACHE (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL11818224 0.76
Toluene SCHEMBL8772848 0.76 ACHE (0.85) LMNATSHRALOX12ACHECES2
SCHEMBL12344943 0.76 ACHE (1.00) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL4429042 0.76 ACHE (1.00) LMNATSHRALOX12ACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798129-B1 Image forming method KONISHIROKU PHOTO IND (JP) 1999-08-18 EP disclosed
US-5834151-A EXPOSING IMAGING LAYER TO FORM MIRROR IMAGE USING THERMAL TRANSFER; HEAT SENSITIVE RECORDING KONICA CORPORATION (JP) 1998-11-10 US disclosed
EP-0798129-A1 Image forming method KONICA CORPORATION (JP) 1997-10-01 EP disclosed