Toluene

Toluene

SCHEMBL29088804

Cc1ccccc1.N=C=O.O=C1NCCO1

nearest known ligand 0.37

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GRM5 P41594 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
Toluene SCHEMBL28499248 0.92 TSHR (0.42) ALDH1A1GAAMAPTHSD17B10LMNA
Biphenyl SCHEMBL4173337 0.77 KMT2A (0.39) ALDH1A1GAAMAPTHSD17B10LMNA
Toluene SCHEMBL27979833 0.74 ACHE (0.58) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL28488283 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL29088577 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL28853719 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL32871 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL29997697 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL1132376 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12
Toluene SCHEMBL57282 0.74 ACHE (0.65) ALDH1A1MAPTLMNATSHRALOX12

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-116829622-A Epoxy resin composition for fiber-reinforced composite material, and method for producing fiber-reinforced composite material 东丽株式会社 2023-09-29 — — CN disclosed
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