Toluene

Toluene

SCHEMBL1077296

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 3/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ PIN1 Q13526 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ RECQL P46063 1/20 0.44

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 SCHEMBL4248351 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1996289 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1532531 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1159815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6346934 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL510300 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8554033 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL414372 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL856707 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
CN-113088101-B Polymerizable dichroic dyes 罗利克技术有限公司 2023-07-04 — — CN disclosed
EP-4192456-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS Universita' degli studi di Brescia (IT) 2023-06-14 — — EP disclosed
US-20230090208-A1 4H-Imidazo[1,2-a]imidazoles for Electronic Applications UDC IRELAND LTD (IE) 2023-03-23 — — US disclosed
CN-114315840-A 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2022-04-12 — — CN disclosed
CN-106188065-B 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2021-12-28 — — CN disclosed
CN-113088101-A Polymerizable dichroic dyes 罗利克技术有限公司 2021-07-09 — — CN disclosed
EP-3651225-A1 NOVEL ORGANIC COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2020-05-13 — — EP disclosed
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 — — EP disclosed
US-10431750-B2 4H-imidazo[1,2-a]imidazoles for electronic applications UDC IRELAND LIMITED (IE) 2019-10-01 — — US disclosed
EP-0871606-B1 NEW COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY AND ANTI-THROMBOTIC ACTIVITIES NICOX SA (FR) 2000-06-14 — — EP disclosed
WO-2000031030-A1 BIFUNCTIONAL PHOTOINITIATORS SUITABLE FOR PHOTOPOLYMERIZATION AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.P.A. (IT) 2000-06-02 — — WO disclosed
US-6040341-A NITRATES; INHIBITORS OF CYCLO-OXYGENASE NICOX S.A. (FR) 2000-03-21 — — US disclosed
EP-0759899-B1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX SA (FR) 1999-09-15 — — EP disclosed
US-5861426-A NITRO ESTERS OF AROMATIC COMPOUNDS WITH AMIDE OR ESTER GROUPS NICOX S.A. (FR) 1999-01-19 — — US disclosed
US-5859006-A CYCLIZATION; AMIDATION; SELECTIVE INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATASE SPECIFIC PHOSPHODIESTERASE; USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS; TADALAFIL CLAIMED ICOS CORPORATION (US) 1999-01-12 — — US disclosed
EP-0759899-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1997-03-05 — — EP disclosed
WO-1995030641-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1995-11-16 — — WO disclosed
US-5112851-A Agricultural Fungicides SANDOZ LTD. (CH) 1992-05-12 — — US disclosed
US-4339450-A CARDIOVASCULAR DISORDERS, ANTIARRHYTHMIA AGENTS SANOFI (FR) 1982-07-13 — — 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 (3 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-10431750-B2 4H-imidazo[1,2-a]imidazoles for electronic applications EIF4A1, ITPR2, ITPR1 ALDH1A1 355/4885LMNA 3640/4885HSD17B10 4691/4885
US-20230090208-A1 4H-Imidazo[1,2-a]imidazoles for Electronic Applications PAH, NISCH, KCNH1 ALDH1A1 405/4885LMNA 3528/4885HSD17B10 3615/4885
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS SNCA, PARK7, SYNJ1 ALDH1A1 2340/4885LMNA 3262/4885HSD17B10 4007/4885

“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.

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