Sugi Predict

Sugi Predict / Compounds / Toluene

Toluene

Toluene

SCHEMBL574733

C[N+](=O)[O-].Cc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.61
▸ ACHE P22303 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ HPRT1 P00492 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.42
▸ FBP1 P09467 4/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HPGD P15428 1/20 0.39

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 SCHEMBL28836329 0.89 TSHR (0.61) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL28394519 0.89 TSHR (0.61) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL28473844 0.89 TSHR (0.61) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL27924375 0.89 TSHR (0.61) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL4933107 0.89 ACHE (0.48) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL11745380 0.86 ACHE (0.58) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL5351746 0.86 ACHE (0.58) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL11742214 0.86 ACHE (0.58) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL6287128 0.84 ACHE (0.55) TSHRACHELMNAALOX12HSD17B10
Toluene SCHEMBL6285825 0.84 ACHE (0.55) TSHRACHELMNAALOX12HSD17B10

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794342-A Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof 武汉朗来科技发展有限公司 2018-11-13 — — CN claimed
US-20240216491-A1 NEOGLYCOCONJUGATES AS VACCINES AND THERAPEUTIC TOOLS KORANEX CAPITAL (CA) 2024-07-04 — — US disclosed
US-11925680-B2 Neoglycoconjugates as vaccines and therapeutic tools KORANEX CAPITAL (CA) 2024-03-12 — — US disclosed
EP-3720597-B1 MACROMOLECULAR COMPOSITIONS COMPRISING INDENE-DERIVATIVES STICHTING TECHNISCHE WETENSCHAPPEN (NL) 2023-11-29 — — EP disclosed
US-20230201799-A1 Macromolecular compositions comprising indene-derivatives, preparation thereof, and use thereof STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2023-06-29 — — US disclosed
US-11612877-B2 Macromolecular compositions comprising indene-derivatives, preparation thereof, and use thereof STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2023-03-28 — — US disclosed
US-20230046628-A1 Macromolecular compositions for binding small molecules STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2023-02-16 — — US disclosed
CN-115003330-A Novel glycoconjugates as vaccines and diagnostic tools 科纳克斯资本 2022-09-02 — — CN disclosed
EP-4034159-A1 NEOGLYCOCONJUGATES AS VACCINES AND THERAPEUTIC TOOLS Koranex Capital (CA) 2022-08-03 — — EP disclosed
CN-107484436-B Organic field effect transistor with low contact resistance 巴斯夫欧洲公司 2021-09-03 — — CN disclosed
US-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 — — US disclosed
US-5846537-A Modified avidin and streptavidin and methods of use thereof UNIVERSITY OF ROCHESTER (US) 1998-12-08 — — US disclosed
EP-0832111-A1 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF Rosebrough, Scott F. (US) 1998-04-01 — — EP disclosed
WO-1997018222-A2 NOVEL OLIGOSACCHARIDE GLYCOSIDES HAVING MAMMALIAN IMMUNOSUPPRESSIVE AND TOLEROGENIC PROPERTIES GLYCOMED, INC. (US) 1997-05-22 — — WO disclosed
WO-1996040761-A9 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF — 1997-01-30 — — WO disclosed
WO-1996040761-A1 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF ROSEBROUGH SCOTT F (US) 1996-12-19 — — WO disclosed
WO-1996016071-A1 PROCESSES FOR THE SYNTHESIS OF 3'-SUBSTITUTED LEWISx COMPOUNDS GLYCOMED, INC. (US) 1996-05-30 — — WO disclosed
WO-1994013686-A1 GLYCOSYL PHOSPHOTRIESTER DERIVATIVES AND THEIR UTILIZATION FOR THE CENTRAL NERVOUS SYSTEM INSTITUT PASTEUR (FR) 1994-06-23 — — WO disclosed
EP-0348987-A2 Process for the preparation of homonojirimycin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-03 — — EP disclosed
US-4290963-A HEATING ONE OF THE PREGNANE SERIES SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240216491-A1 NEOGLYCOCONJUGATES AS VACCINES AND THERAPEUTIC TOOLS GNE, B3GNT2, KRTCAP2 TSHR 1739/4885ACHE 1245/4885LMNA 4279/4885
US-11925680-B2 Neoglycoconjugates as vaccines and therapeutic tools GNE, B3GNT2, KRTCAP2 TSHR 1739/4885ACHE 1245/4885LMNA 4279/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.