SCHEMBL468417

SCHEMBL468417

CCC(=O)C(=O)OBr

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
SCHEMBL71305 0.78
SCHEMBL5034136 0.78 ALDH1A1 (0.41)
SCHEMBL10997419 0.74 CES1 (0.59)
SCHEMBL120572 0.73
SCHEMBL28838211 0.73
SCHEMBL2460267 0.73
SCHEMBL7146267 0.73
SCHEMBL11445342 0.72 CES1 (0.61)
SCHEMBL27958808 0.72
SCHEMBL29058422 0.71 CES1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501819-B Pyridoimidazole substituted quinazolinone derivative, and synthetic method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-02-02 CN claimed
CN-116239594-A 6- (imidazo [1,2-a ] pyridin-6-yl) quinazoline derivatives and uses thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-09 CN claimed
CN-114890932-A First total synthesis process of indole alkaloid Luteoride A 大理大学 2022-08-12 CN claimed
US-20220089542-A1 PROCESS FOR PREPARATION OF ALDEHYDE SCAVENGER AND INTERMEDIATES ALDEYRA THERAPEUTICS, INC. 2022-03-24 US claimed
CN-113501819-A Pyridoimidazole-substituted quinazolinone derivative and synthesis method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2021-10-15 CN claimed
WO-2020223717-A1 PROCESS FOR PREPARATION OF ALDEHYDE SCAVENGER AND INTERMEDIATES ALDEYRA THERAPEUTICS, INC. (US) 2020-11-05 WO claimed
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
EP-0021923-B1 PROCESS FOR THE PREPARATION OF VINCAMINE DERIVATIVES SYNTHELABO (FR) 1983-09-07 EP claimed
US-4316029-A Synthesis of vincaminic acid derivatives SYNTHELABO (FR) 1982-02-16 US claimed
EP-4219501-B1 COMPOUND CONTAINING 2,4-THIAZOLE RING, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF UNIV SHANDONG (CN) 2026-01-28 EP disclosed
US-20260008781-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (US) 2026-01-08 US disclosed
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME SHANGHAI RAISING PHARMACEUTICAL CO LTD (CN) 2025-12-25 US disclosed
EP-4408848-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2025-11-05 EP disclosed
US-12365687-B2 Benzodiazepine derivatives as GABA A gamma 1 PAM HOFFMANN-LA ROCHE INC. (US) 2025-07-22 US disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed
EP-0209237-A2 Vinyl-glycyl-amino-beta-lactam derivatives BEECHAM GROUP PLC (GB) 1987-01-21 EP disclosed
US-4560690-A ANTISECRETORY AGENTS, HISTAMINE H2-ANTAGONISTS PFIZER INC. (US) 1985-12-24 US disclosed
US-4316029-A Synthesis of vincaminic acid derivatives SYNTHELABO (FR) 1982-02-16 US disclosed
US-4316029-A Synthesis of vincaminic acid derivatives SYNTHELABO (FR) 1982-02-16 US disclosed