SCHEMBL179249

SCHEMBL179249

CC(C)(C)n1ccnc1

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
SCHEMBL26111774 0.97 NFKB1 (0.48)
Methane SCHEMBL27732895 0.97 NFKB1 (0.48)
Hydrochloric Acid SCHEMBL29201345 0.97 NFKB1 (0.48)
Iodide SCHEMBL29201349 0.97 NFKB1 (0.48)
Bromide SCHEMBL28416620 0.97 NFKB1 (0.48)
Ethyl Chloride SCHEMBL28168736 0.89 NFKB1 (0.41)
Bicarbonate SCHEMBL29201334 0.89 TBXAS1 (0.51)
Acetic Acid SCHEMBL8525552 0.87 TBXAS1 (0.50)
SCHEMBL22412682 0.81
Acetic Acid SCHEMBL28023953 0.80 TBXAS1 (0.49)

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 1454 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122077251-A Lead-free halogen-free soldering paste for QFN device and preparation method thereof 2026-05-26 CN claimed
WO-2024261723-A1 RHENIUM COMPLEXES COMPRISING A LIGAND WITH A DISTAL INVERTED TRIGONAL PYRAMIDAL STRUCTURAL MOTIF AND USE THEROF UNIVERSIDADE NOVA DE LISBOA (PT) 2024-12-26 WO claimed
CN-118085253-B Imidazolium polyester polyol, polyurethane synthesized by same and preparation method thereof 华东理工大学 2024-12-13 CN claimed
CN-118085253-A Imidazolium polyester polyol, polyurethane synthesized by same and preparation method thereof 华东理工大学 2024-05-28 CN claimed
CN-116809947-B Method for preparing Au nano-rod by imidazole and/or cyclic quaternary ammonium salt surfactant 广东药科大学 2024-02-02 CN claimed
CN-108997095-B Cu2Method for preparing aldehyde by air oxidation of alcohol under catalysis of O/monodentate ligand/TEMPO 嘉兴学院 2021-11-19 CN claimed
CN-108993607-B Cu2Method for preparing aldehyde by air oxidation of alcohol under catalysis of S/imidazole compound/TEMPO 嘉兴学院 2021-09-17 CN claimed
CN-110975936-A Copper-based catalytic system for efficiently catalyzing and oxidizing alcohol at room temperature without solvent and method thereof 桂林理工大学 2020-04-10 CN claimed
CN-108997095-A Cu2The method that O/ monodentate ligand/TEMPO catalytic air oxidation alcohol prepares aldehyde 嘉兴学院 2018-12-14 CN claimed
CN-105330551-B A kind of method for preventing N methylanilines from changing colour 常州市宝隆化工有限公司 2017-09-29 CN claimed
CN-105330551-A Method for protecting N-methylaniline from discoloration CHANGZHOU BAOLONG CHEMICALS CO LTD 2016-02-17 CN claimed
US-8742168-B2 Process for the production of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-06-03 US claimed
US-8637699-B2 Process for the manufacture of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-01-28 US claimed
US-20120310009-A1 Process for the Production of Acetic Acid LYONDELL CHEMICAL COMPANY (US) 2012-12-06 US claimed
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID LYONDELLBASELL ACETYLS, LLC 2012-10-18 US claimed
WO-2002012161-A1 PROCESS FOR THE CARBONYLATION OF OXIRANES DAVY PROCESS TECHNOLOGY LIMITED (GB) 2002-02-14 WO claimed
EP-1179524-A1 Process for the carbonylation of oxiranes Kvaerner Process Technology Limited (GB) 2002-02-13 EP claimed
CN-122077251-A Lead-free halogen-free soldering paste for QFN device and preparation method thereof 2026-05-26 CN disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed
US-4451398-A Dyes containing imidazolymethylene groups BASF AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed