Toluene

Toluene

SCHEMBL28180802

C=C(C(=O)O)C(=O)O.Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ CES2 O00748 2/20 0.48
▸ CES1 P23141 2/20 0.48
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38

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
M-Xylene SCHEMBL28071717 0.86 ACHE (0.55) LMNAACHEMEN1KMT2ASMN1; SMN2
Toluene SCHEMBL1692174 0.85 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10539493 0.85 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL29210071 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL29210074 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL6404503 0.81 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28230148 0.81 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL48134 0.81 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL7355317 0.81 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL2914390 0.81 LMNA (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837714-B The manufacturing method of solid catalyst component for olefin polymerization, the manufacturing method of polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-07-20 — — CN disclosed
CN-104470953-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 东邦钛株式会社 2017-11-14 — — CN disclosed
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