SCHEMBL4554669

SCHEMBL4554669

CCCCC[N+]1(CCCCC)C=CN=C1

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
SCHEMBL902475 0.98 TSHR (0.33)
SCHEMBL17002621 0.98 TSHR (0.33)
SCHEMBL2124363 0.98 TSHR (0.33)
SCHEMBL2120552 0.98 TSHR (0.33)
SCHEMBL4071941 0.98 TSHR (0.33)
SCHEMBL2124516 0.96 TSHR (0.32)
Bromide SCHEMBL4479555 0.91
SCHEMBL9934721 0.91
SCHEMBL9935805 0.91
SCHEMBL11126320 0.91 SMN1; SMN2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021081145-A1 POLISHING COMPOSITION AND METHOD WITH HIGH SELECTIVITY FOR SILICON NITRIDE AND POLYSILICON OVER SILICON OXIDE CMC MATERIALS, INC. (US) 2021-04-29 WO claimed
US-20210115297-A1 POLISHING COMPOSITION AND METHOD WITH HIGH SELECTIVITY FOR SILICON NITRIDE AND POLYSILICON OVER SILICON OXIDE CMC MATERIALS LLC 2021-04-22 US claimed
EP-1784376-B1 METHOD OF PREPARING ORGANIC ACIDS FROM ALDEHYDE COMPOUNDS BY MEANS OF LIQUID PHASE OXIDATION REACTION LG CHEMICAL LTD (KR) 2012-10-10 EP claimed
US-11118308-B2 Treatment of lignocellulosic biomass with ionic liquid IP2IPO INNOVATIONS LIMITED (GB) 2021-09-14 US disclosed
WO-2021081145-A1 POLISHING COMPOSITION AND METHOD WITH HIGH SELECTIVITY FOR SILICON NITRIDE AND POLYSILICON OVER SILICON OXIDE CMC MATERIALS, INC. (US) 2021-04-29 WO disclosed
US-20210115297-A1 POLISHING COMPOSITION AND METHOD WITH HIGH SELECTIVITY FOR SILICON NITRIDE AND POLYSILICON OVER SILICON OXIDE CMC MATERIALS LLC 2021-04-22 US disclosed
US-20180327969-A1 Treatment IMPERIAL INNOVATIONS LIMITED (GB) 2018-11-15 US disclosed
US-9908901-B2 Articles and methods comprising persistent carbenes and related compositions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-03-06 US disclosed
US-9815793-B2 Articles and methods comprising persistent carbenes and related compositions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-11-14 US disclosed
US-20160355484-A1 ARTICLES AND METHODS COMPRISING PERSISTENT CARBENES AND RELATED COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-08 US disclosed
US-20160289248-A1 ARTICLES AND METHODS COMPRISING PERSISTENT CARBENES AND RELATED COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-10-06 US disclosed
WO-2014160471-A2 ARTICLES AND METHODS COMPRISING PERSISTENT CARBENES AND RELATED COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-02 WO disclosed
WO-2014140643-A1 TREATMENT IMPERIAL INNOVATIONS LIMITED (GB) 2014-09-18 WO disclosed
US-20140275555-A1 ARTICLES AND METHODS COMPRISING PERSISTENT CARBENES AND RELATED COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-18 US disclosed
EP-2118071-A2 ALKYL H-PHOSPHONATES OF N,N'-DIALKYLIMIDAZOLIUMS AND OF QUATERNARY AMMONIUMS, AND USES THEREOF Centre National de la Recherche Scientifique (CNRS) (FR) 2009-11-18 EP disclosed
WO-2008101881-A2 ALKYL H-PHOSPHONATES OF N,N'-DIALKYLIMIDAZOLIUMS AND OF QUATERNARY AMMONIUMS, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-08-28 WO disclosed
US-7220869-B2 Brønsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES (CN) 2007-05-22 US disclosed
US-20070021604-A1 Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES 2007-01-25 US disclosed
US-6762300-B2 ONE POT; SUCH AS CYCLIZATION OF 5-BROMOSALICYLALDEHYDE WITH ETHYL BROMOACETATE AND REACTING WITH FORMAMIDE THEN WITH PIPERAZINE DERIVATIVE MERCK PATENT GMBH (DE) 2004-07-13 US disclosed
US-20030125558-A1 Method for producing 5-(1-piperazinyl) -benzofuran-2-carboxamide by transition metal-catalyzed amination MERCK PATENT GMBH (DE) 2003-07-03 US disclosed