Toluene

Toluene

SCHEMBL8093134

CCCCOC.Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 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 SCHEMBL349785 0.84 TSHR (0.50) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL4761329 0.84 TSHR (0.61) TSHRLMNAALOX12ACHEDRD2
Toluene SCHEMBL28175720 0.83 LMNA (0.48) TSHRLMNAALOX12ACHEDRD2
Toluene SCHEMBL1549759 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL10941851 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL2990240 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL18640410 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL80497 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL6257976 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE
Toluene SCHEMBL1155205 0.81 TSHR (0.65) LTA4HTSHRLMNAALOX12ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137044-A2 COMPOSITIONS OF (Z)-ENDOXIFEN AND METHODS OF ENRICHMENT THEREOF ATOSSA THERAPEUTICS, INC. (US) 2023-07-20 WO disclosed
WO-2020238730-A1 NOVEL CLDN18.2 BINDING MOLECULE 三优生物医药(上海)有限公司 2020-12-03 WO disclosed
CN-1168722-C Diresorcinyl-alkoxy-and-aryloxy-s-triazines �������⻯ѧƷ�ع����޹�˾ 2004-09-29 CN disclosed
US-6111103-A ULTRAVIOLET RADIATION ABSORBERS, PARTICULARLY THE A WAVELENGTH; COSMETICS; DRUGS; PLASTICS; PAINTS; WEATHERPROOFING; PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-29 US disclosed
CN-1232027-A Diresorcinyl-alkoxy-and-aryloxy-s-triazines CIBA SC HOLDING AG (CH) 1999-10-20 CN disclosed
US-4540839-A Process for the production of polymer gasoline PETRO-TEX CHEMICAL CORPORATION (US) 1985-09-10 US disclosed