Toluene

Toluene

SCHEMBL28186235

CCO[Si](CN=C=O)(OCC)OCC.Cc1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL153057 0.82
Toluene SCHEMBL27989633 0.79 TSHR (0.48) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL27586261 0.79 LMNA (0.48) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL27806802 0.75 TSHR (0.39) TSHRLMNAALOX12ACHEMEN1
SCHEMBL5864593 0.74
SCHEMBL728591 0.73
SCHEMBL730340 0.73
Toluene SCHEMBL11027465 0.73 LMNA (0.50) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL27719471 0.73 LMNA (0.50) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL27919479 0.70 TSHR (0.52) TSHRLMNAALOX12ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107474770-A A kind of one pack system high heat conductive insulating structural adhesive and preparation method thereof 烟台信友新材料股份有限公司 2017-12-15 CN claimed
CN-107474770-A A kind of one pack system high heat conductive insulating structural adhesive and preparation method thereof 烟台信友新材料股份有限公司 2017-12-15 CN disclosed