Toluene

Toluene

SCHEMBL451397

C[C]1C=C[CH]C=C1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL336846 0.82
SCHEMBL27688235 0.78
SCHEMBL28765948 0.78
SCHEMBL27688359 0.78
SCHEMBL28972054 0.72
SCHEMBL29043245 0.69
SCHEMBL9347867 0.67
SCHEMBL1900770 0.62
Toluene SCHEMBL6474268 0.62
SCHEMBL4466943 0.61 DEPTOR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10297765-B2 Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2019-05-21 US claimed
US-20060122301-A1 Fluorinated divinyl ethers HONEYWELL INTERNATIONAL INC. (US) 2006-06-08 US claimed
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP claimed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP claimed
EP-1533310-A1 Isonipecotamides for the treatment of integrin-mediated disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2005-05-25 EP claimed
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders COSTANZO MICHAEL J (US) 2003-09-25 US claimed
CN-1352641-A Isopiperidinecarboxamides for the treatment of integrin-mediated disorders ORTHO MCNEIL PHARM INC (US) 2002-06-05 CN claimed
EP-1133489-A1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-09-19 EP claimed
WO-2001023376-A1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-04-05 WO claimed
EP-0813560-A2 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP claimed
WO-1996028491-A1 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 WO claimed
CN-118184675-A Mugwort lactone I derivative and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2024-06-14 CN disclosed
WO-2023182221-A1 METHOD FOR PRODUCING QUANTUM DOTS 日本化学工業株式会社 2023-09-28 WO disclosed
US-11744152-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications UDC IRELAND LIMITED (IE) 2023-08-29 US disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-4612374-A Tris-azetidinedione derivative 1,3,5-triazin-2,4,6-triones THE DOW CHEMICAL COMPANY (US) 1986-09-16 US disclosed
US-4576747-A Isocyanato-azetidinediones THE UPJOHN COMPANY (US) 1986-03-18 US disclosed
EP-0161591-A1 Isocyanato-azetidine-diones THE DOW CHEMICAL COMPANY (US) 1985-11-21 EP disclosed
US-4286962-A Phthalocyanine reactive dyestuffs, their preparation and their use for dyeing materials containing hydroxyl groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1981-09-01 US disclosed
US-4267107-A WATER SOLUBLE PHTHALOCYANINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed