SCHEMBL28078244

SCHEMBL28078244

Cc1c[n+]([O-])c(C)c(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
SCHEMBL16670028 0.80 HCAR2 (0.31)
SCHEMBL11395453 0.70 CCR1 (0.31)
SCHEMBL286168 0.63 RAPGEF4 (0.31)
SCHEMBL19573877 0.62
SCHEMBL11067034 0.60
SCHEMBL16677174 0.60
SCHEMBL191997 0.60
SCHEMBL18185780 0.57 LMNA (0.32)
SCHEMBL9332355 0.57
SCHEMBL16669983 0.56

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859643-B A kind of 2- ethyl -3,5, the synthetic method of 6- trimethylpyrazine 平光制药股份有限公司 2018-11-16 CN claimed
CN-105859643-A Synthetic method of 2-ethyl-3,5,6-trimethyl pyrazine 平光制药股份有限公司 2016-08-17 CN claimed
EP-4613744-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Guangdong Zhongke Medicine Research Ltd. (CN) 2025-09-10 EP disclosed
CN-115991698-B Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2024-03-29 CN disclosed
CN-117586227-A Pirfenidone derivative and preparation method and application thereof 广东中科药物研究有限公司 2024-02-23 CN disclosed
CN-115991698-A Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2023-04-21 CN disclosed
CN-108558833-B Pyrazole alcohol compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-03-04 CN disclosed
CN-105859643-B A kind of 2- ethyl -3,5, the synthetic method of 6- trimethylpyrazine 平光制药股份有限公司 2018-11-16 CN disclosed
CN-105859643-B A kind of 2- ethyl -3,5, the synthetic method of 6- trimethylpyrazine 平光制药股份有限公司 2018-11-16 CN disclosed
CN-105859643-A Synthetic method of 2-ethyl-3,5,6-trimethyl pyrazine 平光制药股份有限公司 2016-08-17 CN disclosed
CN-105859643-A Synthetic method of 2-ethyl-3,5,6-trimethyl pyrazine 平光制药股份有限公司 2016-08-17 CN disclosed