SCHEMBL435547

SCHEMBL435547

S=C(c1c[nH]nn1)c1c[nH]nn1

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
SCHEMBL27603283 0.82
SCHEMBL9343822 0.80
SCHEMBL11175571 0.75
SCHEMBL8314948 0.75
SCHEMBL11085069 0.74
Hydrogen Sulfide SCHEMBL11219494 0.72
SCHEMBL9426831 0.70
SCHEMBL11213128 0.70
Ammonia Solution, Strong SCHEMBL28124824 0.70
Arsenic SCHEMBL27823540 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113519539-A Compound antibacterial suspension medicament for preventing and treating wheat diseases and preparation method thereof 溧阳中南化工有限公司 2021-10-22 CN claimed
CN-111689904-B Preparation method of triazole sulfur (selenium) ketone derivative 华南农业大学 2021-06-25 CN claimed
CN-111689904-A Preparation method of triazole sulfur (selenium) ketone derivative 华南农业大学 2020-09-22 CN claimed
CN-110183389-A A kind of triazole thioketone derivative compound and preparation method 芮城县斯普伦迪生物工程有限公司 2019-08-30 CN claimed
CN-105010357-B Bactericidal composition and its application 利尔化学股份有限公司 2017-06-23 CN claimed
US-20160368929-A1 MELAMPOMAGNOLIDE B DERIVATIVES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-12-22 US claimed
US-20150133444-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-05-14 US claimed
CN-100453541-C Substituted oxdiazole or triazole thioketone compounds, preparation and application thereof SHENYANG RES INST CHEMICAL IND (CN) 2009-01-21 CN claimed
CN-1927859-A Substituted oxdiazole or triazole thioketone compounds, preparation and application thereof SHENYANG RES INST CHEMICAL IND (CN) 2007-03-14 CN claimed
US-5457180-A Methods for producing linear thiopeptides using an amino acid ortho amino thioanilide compound BIOCHEM PHARMA INC. (CA) 1995-10-10 US claimed
CN-221342228-U Waste water collecting tank 石家庄科力达精细化工有限公司 2024-07-16 CN disclosed
CN-221342297-U 2-Chloro-1- (1-chlorocyclopropyl) ethanone storage tank 石家庄科力达精细化工有限公司 2024-07-16 CN disclosed
CN-114409615-B Separation method of mixed solvent containing 2-methyltetrahydrofuran, methanol and water 福建技术师范学院 2024-07-12 CN disclosed
CN-221268058-U Device for continuously preparing 2-chloro-1- (1-chlorocyclopropyl) ethanone 江苏七洲绿色化工股份有限公司 2024-07-05 CN disclosed
CN-115039785-B Medicament composition for preventing and treating wheat stem-based rot and application thereof 安徽省农业科学院植物保护与农产品质量安全研究所 2024-06-25 CN disclosed
US-20010025007-A1 Catalyst compositions for the polymerization of olefins E. I. DU PONT DE NEMOURS AND COMPANY 2001-09-27 US disclosed
US-6200925-B1 AS POLYMERIZATION CATALYST EASTMAN CHEMICAL COMPANY 2001-03-13 US disclosed
EP-0966490-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1999-12-29 EP disclosed
WO-1998040420-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1998-09-17 WO disclosed
US-5457180-A Methods for producing linear thiopeptides using an amino acid ortho amino thioanilide compound BIOCHEM PHARMA INC. (CA) 1995-10-10 US disclosed