Hexane

Hexane

SCHEMBL275309

CCCCCC.S=C=S

nearest known ligand 0.00

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⚠ 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
Hexane SCHEMBL2781361 1.00 TSHR (0.58)
Hexane SCHEMBL275495 1.00 TSHR (0.58)
Hexane SCHEMBL275660 1.00 TSHR (0.58)
Dodecane SCHEMBL28138522 0.96 TSHR (0.67)
Heptane SCHEMBL28355078 0.96 TSHR (0.67)
Hexadecane SCHEMBL28842818 0.96 TSHR (0.67)
Pentane SCHEMBL10582130 0.91
Hexane SCHEMBL21496135 0.84
Hexane SCHEMBL28393830 0.84 TSHR (0.50)
Isothiocyanate SCHEMBL7133121 0.81 TSHR (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10388878-B2 Fullerene derivative and N-type semiconductor material DAIKIN INDUSTRIES, LTD. (JP) 2019-08-20 US claimed
EP-2999018-B1 FULLERENE DERIVATIVE AND N-TYPE SEMICONDUCTOR MATERIAL DAIKIN IND LTD (JP) 2024-02-28 EP disclosed
WO-2023100719-A1 FULLERENE DERIVATIVE, n-TYPE SEMICONDUCTOR MATERIAL, ORGANIC POWER GENERATION LAYER AND PHOTOELECTRIC CONVERSION ELEMENT 株式会社ハーベス 2023-06-08 WO disclosed
CN-115960289-A Cobalt catalyst and preparation method of polybutadiene compound rich in 1, 2-structure 中国石油化工股份有限公司 2023-04-14 CN disclosed
EP-3372581-B1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL DAIKIN IND LTD (JP) 2021-06-23 EP disclosed
US-10894770-B2 Fullerene derivative and n-type semiconductor material DAIKIN INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-20200406166-A1 PURIFICATION METHOD DAIKIN INDUSTRIES, LTD. (JP) 2020-12-31 US disclosed
EP-3730481-A1 PURIFICATION METHOD DAIKIN INDUSTRIES, LTD. (JP) 2020-10-28 EP disclosed
CN-105210205-B Fullerene derivative and n-type semiconductor material 大金工业株式会社 2020-09-18 CN disclosed
CN-111491921-A Refining method 大金工业株式会社 2020-08-04 CN disclosed
US-20110005597-A1 PHOTOELECTRIC CONVERTER AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-13 US disclosed
EP-1563545-B1 Field effect transistor with functionalised nanotube and corresponding manufacturing method. UNIV RICE WILLIAM M (US) 2010-10-27 EP disclosed
US-7692218-B2 Method for creating a functional interface between a nanoparticle, nanotube or nanowire, and a biological molecule or system WILLIAM MARSH RICE UNIVERSITY (US) 2010-04-06 US disclosed
US-20100048934-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-25 US disclosed
EP-2116521-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE Japan Science and Technology Agency (JP) 2009-11-11 EP disclosed
EP-1563545-A4 METHOD FOR CREATING A FUNCTIONAL INTERFACE BETWEEN A NANOPARTICLE, NANOTUBE OR NANOWIRE, AND A BIOLOGICAL MOLECULE OR SYSTEM UNIV RICE WILLIAM M (US) 2009-04-29 EP disclosed
US-20060145194-A1 Method for creating a functional interface between a nanoparticle, nanotube or nanowire, and a biological molecule or system WILLIAM MARSH RICE UNIVERSITY (US) 2006-07-06 US disclosed
EP-1563545-A2 METHOD FOR CREATING A FUNCTIONAL INTERFACE BETWEEN A NANOPARTICLE, NANOTUBE OR NANOWIRE, AND A BIOLOGICAL MOLECULE OR SYSTEM William Marsh Rice University (US) 2005-08-17 EP disclosed
WO-2005000735-A2 METHOD FOR CREATING A FUNCTIONAL INTERFACE BETWEEN A NANOPARTICLE, NANOTUBE OR NANOWIRE, AND A BIOLOGICAL MOLECULE OR SYSTEM WILLIAM MARSH RICE UNIVERSITY (US) 2005-01-06 WO disclosed
US-5132430-A From acrylic esters with pendant halogenated carbazole groups, optical devices POLAROID CORPORATION (US) 1992-07-21 US disclosed