Hexane

Hexane

SCHEMBL5498517

CCCCCC.COC

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
Decane SCHEMBL3182487 0.95 TSHR (0.73)
Heptane SCHEMBL447146 0.95 TSHR (0.73)
Undecane SCHEMBL28043835 0.95 TSHR (0.73)
Hexadecane SCHEMBL27375271 0.95 TSHR (0.73)
Octane SCHEMBL4441366 0.95 TSHR (0.73)
Pentane SCHEMBL747293 0.90
Hexane SCHEMBL9557662 0.84 TSHR (0.88)
Hexane SCHEMBL8705498 0.84 TSHR (0.88)
Hexane SCHEMBL357364 0.84 TSHR (0.88)
Hexane SCHEMBL5017645 0.84 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200253251-A1 EQUOL-CONTAINING EXTRACT, METHOD FOR PRODUCTION THEREOF, METHOD FOR EXTRACTION OF EQUOL, AND EQUOL-CONTAINING FOOD OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-08-13 US disclosed
EP-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP disclosed
CN-105745193-B Antimycotic oxo-dihydro pyridine carbohydrazide derivative 株式会社大熊制药 2017-12-01 CN disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP disclosed
CN-105745193-A Novel antifungal oxodihydropyridinecarbohydrazide derivative 株式会社大熊制药 2016-07-06 CN disclosed
EP-2621995-B1 ADVANCED EPOXY RESIN COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-23 EP disclosed
US-9192185-B2 Equol-containing extract, method for production thereof, method for extraction of equol, and equol-containing food OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-11-24 US disclosed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 WO disclosed
US-20020078644-A1 Prefabricated corner for dry wall and plaster construction CRANE CLYDE (US) 2002-06-27 US disclosed
EP-0929565-A2 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 1999-07-21 EP disclosed
US-5852189-A Tertiaryaminoalkyllithium initiators and the preparation thereof BRIDGESTONE CORPORATION (JP) 1998-12-22 US disclosed
WO-1998015568-A2 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 1998-04-16 WO disclosed
US-5510344-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1996-04-23 US disclosed
EP-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed
WO-1995005838-A1 BENEFICIAL EFFECTS OF PLANT VOLATILE OILS SCOTTISH AGRICULTURAL COLLEGE (GB) 1995-03-02 WO disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed
US-5288619-A Margarine KRAFT GENERAL FOODS, INC. (US) 1994-02-22 US disclosed
EP-0378308-A1 Acrylate fungicides AgrEvo UK Limited (GB) 1990-07-18 EP disclosed