SCHEMBL5533663

SCHEMBL5533663

Cc1[c]c(F)n(C)n1

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
SCHEMBL18938607 0.72
SCHEMBL5177299 0.70
SCHEMBL3149829 0.61 SCN9A (0.33)
SCHEMBL18938760 0.56
SCHEMBL16911300 0.56
SCHEMBL15148279 0.54
SCHEMBL1086082 0.54
SCHEMBL19077923 0.54
SCHEMBL22083922 0.54
SCHEMBL7038145 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 US claimed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US claimed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US claimed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US claimed
EP-2970281-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP claimed
EP-2970306-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP claimed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 WO claimed
US-8853455-B2 Process for preparing substituted 2-nitrobiphenyls BASF SE (DE) 2014-10-07 US claimed
WO-2014144747-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-09-18 WO claimed
US-8637707-B2 Method for producing aminobiphenylene BASF SE (DE) 2014-01-28 US claimed
US-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls BASF SE (DE) 2011-12-29 US claimed
WO-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 WO disclosed
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
EP-2785698-B1 FUNGICIDAL N-BICYCLOALKYL AND N-TRICYCLOALKYL (THIO)CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2018-10-10 EP disclosed
EP-1697329-A1 OPTICALLY ACTIVE CARBOXAMIDES AND USE THEREOF TO COMBAT UNDESIRABLE MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-09-06 EP disclosed
WO-2005058839-A1 OPTICALLY ACTIVE CARBOXAMIDES AND USE THEREOF TO COMBAT UNDESIRABLE MICROORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-30 WO disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed