Toluene

Toluene

SCHEMBL8601248

C1=CSSC1.Cc1ccccc1.[Ni]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

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) —
Azobenzene SCHEMBL18064412 0.75 ALDH1A1 (0.50) LMNATSHR

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
Send feedback