Hexane

Hexane

SCHEMBL268437

CCCCCC.CCl

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
Heptane SCHEMBL28189697 0.95
Hexane SCHEMBL6072655 0.91 TSHR (0.58)
Tetradecane SCHEMBL27487016 0.91 TSHR (0.73)
Hexane SCHEMBL28289214 0.91 TSHR (0.58)
Pentane SCHEMBL2999398 0.89
Hexane SCHEMBL9859565 0.88 TSHR (0.88)
Hexane SCHEMBL357364 0.88 TSHR (0.88)
Hexane SCHEMBL9557662 0.88 TSHR (0.88)
Hexane SCHEMBL8705498 0.88 TSHR (0.88)
Hexane SCHEMBL5017645 0.88 TSHR (0.88)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007109304-A2 CERAMIC NANOPARTICLES AND METHODS FOR FORMING CERAMIC NANOPARTICLES FROM ELECTROSPUN NANOFIBERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-09-27 WO claimed
US-11889746-B2 Polymer, coating composition comprising same, and organic light emitting device using same LG CHEM, LTD. 2024-01-30 US disclosed
EP-3702359-B1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR LG CHEMICAL LTD (KR) 2024-01-24 EP disclosed
CN-111615516-B Compound, coating composition comprising the same, organic light emitting device using the same, and method for manufacturing the same 株式会社LG化学 2023-10-17 CN disclosed
US-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-31 US disclosed
US-11557737-B2 Compound, coating composition comprising same, organic light-emitting element using same, and manufacturing method therefor LG CHEM, LTD. 2023-01-17 US disclosed
CN-110475781-B Compound, coating composition comprising the same, organic light emitting device using the same, and method for manufacturing the same 株式会社LG化学 2022-11-29 CN disclosed
EP-2994492-B1 FUNCTIONAL POLYISOBUTYLENE-CONTAINING OLIGOMERS AND POLYMERS Henkel IP & Holding GmbH (DE) 2021-03-17 EP disclosed
EP-3750895-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR LG Chem, Ltd. (KR) 2020-12-16 EP disclosed
US-20200313099-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Element Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2020-10-01 US disclosed
EP-0230946-A2 Process for the preparation of quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-08-05 EP disclosed
EP-0230948-A2 Benzoylacetic acid ester derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-08-05 EP disclosed
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed
EP-0155981-A2 Derivatives of alkoxythiophenol; alkoxyphenolthio carbamates HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-02 EP disclosed
EP-0095901-A1 Process for the preparation of (d) 2-(d-methoxy-2-naphthyl) propionic acid and pharmaceutically acceptable salts thereof and new intermediates therefor SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-12-07 EP disclosed
US-4245104-A Isoxazolines and isoxazolidines HOFFMANN-LA ROCHE INC. (US) 1981-01-13 US disclosed
EP-0011777-A1 Novel process for the manufacture of thiophene derivatives suited for the manufacture of biotin, process for the manufacture of biotin and novel intermediates in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 EP disclosed
US-4074035-A ISOBUTYLENE AND PARA AND META CHLOROMETHYL STYRENE EXXON RESEARCH & ENGINEERING CO. (US) 1978-02-14 US disclosed
US-4000159-A PREPARATION OF N,N-DISUBSTITUTED THIOAMIDES PHILLIPS PETROLEUM COMPANY (US) 1976-12-28 US disclosed
US-3948868-A ISOOLEFIN COPOLYMERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-04-06 US disclosed