Toluene

Toluene

SCHEMBL8601248

C1=CSSC1.Cc1ccccc1.[Ni]

nearest known ligand 0.46

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
HPGD P15428 1/20 0.31

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 SCHEMBL2528353 0.98 LMNA (0.48) LMNATSHRALOX12ACHEHPGD
M-Xylene SCHEMBL2590481 0.83 ACHE (0.50) ACHE
Benzene SCHEMBL8037845 0.82
Biphenyl SCHEMBL2448236 0.80 ALDH1A1 (0.43)
Benzene SCHEMBL23211163 0.79
Benzene SCHEMBL132147 0.79
SCHEMBL3358924 0.78 ACHE (0.32) LMNAACHE
Phenol SCHEMBL10634320 0.77 CA12 (0.48)
Phenol SCHEMBL9867560 0.77 CA12 (0.48)
Diphenylether SCHEMBL2782714 0.75 LTA4H (0.50) TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709225-B1 Reversible multi-color thermal recording medium JUJO PAPER CO LTD (JP) 1998-08-05 EP disclosed
US-5710094-A HEAT RESISTANT ORGANIC UREA OR THIOUREA COLOR DEVELOPER NIPPON PAPER INDUSTRIES CO. LTD. (JP) 1998-01-20 US disclosed
EP-0709225-A1 Reversible multi-color thermal recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-05-01 EP disclosed