SCHEMBL1187005

SCHEMBL1187005

Cc1ncc([N+](=O)[O-])[nH]1

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
Alcohol SCHEMBL10696050 0.90 ALDH1A1 (0.39)
SCHEMBL28809178 0.85
Benzoic Acid SCHEMBL27726449 0.82 TSHR (0.42)
SCHEMBL29793430 0.79 ALDH1A1 (0.37)
SCHEMBL12441774 0.79 MAPT (0.35)
SCHEMBL9762556 0.76
SCHEMBL3188625 0.76
SCHEMBL11825958 0.76
SCHEMBL3187131 0.76
SCHEMBL8813561 0.75 GAA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098016-A1 METHOD AND SYSTEM FOR FULLY CONTINUOUS-FLOW PREPARATION OF NITROIMIDAZOLE ANTIMICROBIAL AGENT UNIV FUDAN (CN) 2026-04-09 US claimed
WO-2025086625-A1 SYNTHESIS METHOD FOR DEUTERATED TINIDAZOLE 上海安谱实验科技股份有限公司 2025-05-01 WO claimed
CN-119775210-A Method for continuously synthesizing 2-methyl-5-nitroimidazole by nitration 浙江台州普渡智能装备有限公司 2025-04-08 CN claimed
CN-119504602-A Preparation method of morpholinnidazole isomer 成都倍特药业股份有限公司 2025-02-25 CN claimed
CN-117820233-B Method for recycling materials from metronidazole crude product mother liquor 河北广祥制药有限公司 2025-02-11 CN claimed
CN-118846990-B Continuous synthesis system and synthesis method of 2-methyl-5-nitroimidazole 天津凯莱英医药科技发展有限公司 2025-02-07 CN claimed
CN-116178272-B Method for preparing 2-methyl-5-nitroimidazole by utilizing microchannel reaction device 南京工业大学 2025-01-28 CN claimed
CN-119330884-A Preparation method of ornidazole 上海科胜药物研发有限公司 2025-01-21 CN claimed
CN-119198966-A Method for measuring contents of 15 beta-receptor agonists, 3 amidols and 11 nitroimidazole antibiotics in agricultural products 中国测试技术研究院 2024-12-27 CN claimed
WO-2024248496-A1 ADHESIVE MATERIAL COMPOSITION OF FLEXIBLE SUBSTRATE FOR AUTOMOTIVE ELECTRONIC PARTS 오컴퍼니 주식회사 2024-12-05 WO claimed
CN-1095665-C Modified-release metronidazole compositions and methods for making and using same SEARLE & CO (US) 2002-12-11 CN claimed
CN-1342452-A Foaming emulsion for treating fatty skin OREAL (FR) 2002-04-03 CN claimed
CN-1068173-C Biological pollution control for oil field ROHM & HAAS (US) 2001-07-11 CN claimed
CN-1053896-C Tinidazole preparing process ZHEJIANG UNIV OF MEDICINE SCIE (CN) 2000-06-28 CN claimed
CN-1256269-A Synthesis of 2-methyl-5-nitro imidazole UNIV QINGHUA (CN) 2000-06-14 CN claimed
CN-1139382-A Modified release 2-methyl-5-nitro-1-imidazolyl-ethanol compositions and methods of making and using same SEARLE & CO (US) 1997-01-01 CN claimed
CN-1126948-A Methods and compositions for aiding periodontal tissue regeneration PROCTER & GAMBLE (US) 1996-07-17 CN claimed
CN-1121512-A Tinidazole preparing process ZHEJIANG MEDICAL UNIV (CN) 1996-05-01 CN claimed
EP-0072919-B1 PROCESS FOR THE PREPARATION OF 1,2-DIMETHYL-5-NITROIMIDAZOLE OF HIGH PURITY BASF Aktiengesellschaft (DE) 1986-01-08 EP claimed
US-4209631-A Process for the safe nitration of 2-methylimidazole Zaklady Chemiczne "Aspeta" Spoldzielnia Pracy. (PL) 1980-06-24 US claimed