Toluene

Toluene

SCHEMBL28042722

CCCCCc1c[nH]nn1.Cc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
CYP19A1 P11511 6/20 0.40
HSD11B1 P28845 2/20 0.40
GPR84 Q9NQS5 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.35

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 SCHEMBL28293979 0.95 HSD11B1 (0.39) KCNH2CYP19A1HSD11B1CNR1CNR2
Toluene SCHEMBL29001023 0.89 TSHR (0.38) CYP19A1CNR2TSHR
SCHEMBL628308 0.87 KCNH2 (0.44) KCNH2CYP19A1
SCHEMBL5023555 0.85 KCNH2 (0.47) KCNH2CYP19A1
SCHEMBL245127 0.85 KCNH2 (0.47) KCNH2CYP19A1
SCHEMBL5600895 0.85 KCNH2 (0.47) KCNH2CYP19A1
SCHEMBL5601502 0.85 KCNH2 (0.47) KCNH2CYP19A1
SCHEMBL16196855 0.85 KCNH2 (0.47) KCNH2CYP19A1
SCHEMBL243705 0.85 KCNH2 (0.47) KCNH2CYP19A1
SCHEMBL245886 0.85 KCNH2 (0.47) KCNH2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105462668-A High boiling point brake fluid QINGDAO WENSHENG AUTOMOBILE COMPONENTS & PARTS CO LTD 2016-04-06 CN disclosed