SCHEMBL1928152

SCHEMBL1928152

Cc1c[c]cc(C)c1Br

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
SCHEMBL2288119 0.85
SCHEMBL2289049 0.81
SCHEMBL2291121 0.81
SCHEMBL530544 0.77
SCHEMBL2285857 0.75
SCHEMBL14480386 0.72
SCHEMBL2290875 0.69
SCHEMBL2285481 0.69
SCHEMBL28711764 0.69
SCHEMBL27887432 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105299-B Aryl ether substituted oxazolidinone carboxylic acid ester derivative and preparation method and application thereof 中山大学 2023-01-03 CN claimed
CN-110105299-A One kind esters of keto-carboxylic acid analog derivative of substituted oxazolidine containing aryl oxide and its preparation method and application 中山大学 2019-08-09 CN claimed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed
EP-1587795-B1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE BOEHRINGER INGELHEIM INT (DE) 2009-05-13 EP claimed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US claimed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP claimed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO claimed
EP-1587795-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP claimed
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 US claimed
WO-2004063171-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 WO claimed
WO-2023187670-A1 DIAZABICYCLOOCTANE DERIVATIVES USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS VASA THERAPEUTICS SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2023-10-05 WO disclosed
CN-115417999-B One-dimensional polyrotaxane constructed based on coordination boron-nitrogen bond, and preparation method and application thereof 浙江大学杭州国际科创中心 2023-07-07 CN disclosed
CN-110105299-B Aryl ether substituted oxazolidinone carboxylic acid ester derivative and preparation method and application thereof 中山大学 2023-01-03 CN disclosed
CN-115417999-A One-dimensional polyrotaxane constructed based on coordinated boron-nitrogen bond and preparation method and application thereof 浙江大学杭州国际科创中心 2022-12-02 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-4195092-A INSECTICIDES FOR TREATING MEXICAN BEAN BEETLE ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
EP-0003081-A2 Thiazolidinecarbothioamides, their preparation, compositions and use as insecticides ELI LILLY AND COMPANY (US) 1979-07-25 EP disclosed
EP-0002939-A2 Novel carbothioamides, compositions containing them and their preparation ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed
EP-0002938-A2 Novel heterocyclic carbothioamides, compositions containing them, their preparation and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed