Toluene

Toluene

SCHEMBL2598282

CC(=O)CC(C)=O.Cc1ccccc1.[AlH3]

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
ACHE P22303 1/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.47
POLB P06746 1/20 0.47
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
PTGS2 P35354 1/20 0.41

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 SCHEMBL28153542 0.98 LMNA (0.55) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL28361943 0.95 LMNA (0.52) LMNATSHRALOX12ACHENPC1
Acetoacetic Acid SCHEMBL28140837 0.88 NPC1 (0.50) LMNATSHRALOX12ACHENPC1
Acetoacetic Acid SCHEMBL9704495 0.88 NPC1 (0.50) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL27533636 0.85 NPC1 (0.47) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL9640429 0.83 LMNA (0.55) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL9639878 0.83 LMNA (0.55) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL11241972 0.83 LMNA (0.55) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL170599 0.83 LMNA (0.55) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL27771047 0.83 LMNA (0.55) LMNATSHRALOX12ACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266632-B2 Ordered architectures in acrylic polymers AVERY DENNISON CORPORATION (US) 2019-04-23 US disclosed
US-10011747-B2 Ordered architectures in acrylic polymers AVERY DENNISON CORPORATION (US) 2018-07-03 US disclosed
US-20170226259-A1 Ordered Architectures in Acrylic Polymers AVERY DENNISON CORPORATION 2017-08-10 US disclosed
US-20170152415-A1 Ordered Architectures in Acrylic Polymers AVERY DENNISON CORPORATION 2017-06-01 US disclosed
US-9644063-B2 Ordered architectures in acrylic polymers AVERY DENNISON CORPORATION (US) 2017-05-09 US disclosed
EP-2571906-B1 ORDERED ARCHITECTURES IN ACRYLIC POLYMERS AVERY DENNISON CORP (US) 2014-10-01 EP disclosed
EP-2571906-A1 ORDERED ARCHITECTURES IN ACRYLIC POLYMERS Avery Dennison Corporation (US) 2013-03-27 EP disclosed
US-20130059971-A1 Ordered Architectures in Acrylic Polymers AVERY DENNISON CORPORATION (US) 2013-03-07 US disclosed
WO-2011146450-A1 ORDERED ARCHITECTURES IN ACRYLIC POLYMERS AVERY DENNISON CORPORATION (US) 2011-11-24 WO disclosed