SCHEMBL5837

SCHEMBL5837

[c]1cccc2nc[nH]c12

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
SCHEMBL158070 0.72 PARP1 (0.52)
SCHEMBL170542 0.68 MAPKAPK2 (0.39)
SCHEMBL6104267 0.67 PARP1 (0.41)
SCHEMBL196628 0.65
SCHEMBL130169 0.65
SCHEMBL453001 0.65
SCHEMBL449578 0.65
SCHEMBL22950 0.65
SCHEMBL184167 0.65
SCHEMBL71856 0.65

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

Appears in 3488 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
WO-2024009308-A1 TRPV2 CHANNEL BLOCKERS AND USE THEREOF ICHILOV TECH LTD. (IL) 2024-01-11 WO claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
WO-2023107490-A1 HETEROCYCLE-CONTAINING LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2023-06-15 WO claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-104892639-B 3,6- bis- replaces [1,2,4] triazole [3,4-b] [1,3,4] thiadiazole compound and application thereof 中国科学院上海药物研究所 2018-10-30 CN claimed
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-03-15 US claimed
EP-2678331-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-04-27 EP claimed
CN-105531265-A Pesticidal compounds BASF SE 2016-04-27 CN claimed
CN-104892639-A 3,6-Disubstituted[1,2,4]triazolyl[3,4-b][1,3,4]thiadiazole compounds and use thereof SHANGHAI INST MATERIA MEDICA 2015-09-09 CN claimed
US-5278169-A Method of treating or prevention of fibrillation of the heart E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US claimed
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US claimed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP claimed
US-5143915-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1992-09-01 US claimed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 US claimed
US-4900750-A ANTICOAGULANTS; ENZYME INHIBITORS JOHN WYETH & BROTHER, LIMITED (GB) 1990-02-13 US claimed
EP-0253178-A1 Substituted 1,5-benzodiazepine compounds E.R. Squibb &amp; Sons, Inc. (US) 1988-01-20 EP claimed
US-4650797-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1987-03-17 US claimed
US-4647561-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-03-03 US claimed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb &amp; Sons, Inc. (US) 1986-12-10 EP claimed