SCHEMBL5729396

SCHEMBL5729396

CCO[Al](OCC)OCC.[HH]

nearest known ligand 0.00

⚠ 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
SCHEMBL15016076 0.96
SCHEMBL108892 0.96
SCHEMBL15063009 0.92
SCHEMBL509640 0.92
SCHEMBL384218 0.92
Lithium Ion SCHEMBL384217 0.88
SCHEMBL509639 0.88
Hydrochloric Acid SCHEMBL8853911 0.88
SCHEMBL11270758 0.85
SCHEMBL6290041 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484508-A Compound for preparing balsalavir or derivatives thereof, preparation method and application thereof 北京四环制药有限公司 2020-08-04 CN claimed
EP-1073634-B1 METHOD FOR PRODUCING ENANTIOMERICALLY PURE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE MERCK PATENT GMBH (DE) 2005-08-31 EP claimed
US-6344566-B1 AMIDATION AND REDUCTION AND CONVERSION WITH ACID; ASIMADOLINE MERCK PATENT GMBH (DE) 2002-02-05 US claimed
CN-111484508-B Compound for preparing balsalavir or derivatives thereof, preparation method and application thereof 北京四环制药有限公司 2022-11-25 CN disclosed
CN-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed
CN-111484508-A Compound for preparing balsalavir or derivatives thereof, preparation method and application thereof 北京四环制药有限公司 2020-08-04 CN disclosed
US-20160237052-A1 Histamine-3 Receptor Antagonists MediSynergics, LLC (US) 2016-08-18 US disclosed
EP-2980034-A1 LAMINATED GLASS Konica Minolta, Inc. (JP) 2016-02-03 EP disclosed
WO-2015116960-A1 COMPOSITIONS FOR HIGH SPEED PRINTING OF CONDUCTIVE MATERIALS FOR ELECTRONIC CIRCUITRY TYPE APPLICATIONS, AND METHODS RELATING E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-06 WO disclosed
EP-2604633-B1 MANUFACTURING METHOD OF (METH) ACRYLIC POLYMER KANEKA CORP (JP) 2015-07-08 EP disclosed
EP-2667876-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS Harbor BioSciences, Inc. (US) 2013-12-04 EP disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
EP-0893421-A1 ALKENYL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
US-4088779-A HYPOTENSIVE, ANTIFERTILITY CIBA-GEIGY CORPORATION (US) 1978-05-09 US disclosed
US-4077980-A ANTIASTHMATIC CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-4077979-A ANTIASTHMATIC CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-4041047-A ANTIASTHMATICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-3981887-A Sulfoxides and sulfones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-21 US disclosed
US-3970670-A ANTIHISTAMINE CIBA-GEIGY CORPORATION (US) 1976-07-20 US disclosed