SCHEMBL116575

SCHEMBL116575

COC(=O)C(C)(C)CBr

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
SCHEMBL8201495 0.81 DGAT1 (0.35)
SCHEMBL1661232 0.80 DGAT1 (0.38)
SCHEMBL1938870 0.79
SCHEMBL3502125 0.79
SCHEMBL17574065 0.78 DGAT1 (0.44)
SCHEMBL2022397 0.78 DGAT1 (0.44)
SCHEMBL28292106 0.77 DGAT1 (0.39)
SCHEMBL9235035 0.77
SCHEMBL10004131 0.77 DGAT1 (0.44)
SCHEMBL4122676 0.77 CYP4F2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285760-B Synthesis method and intermediate of pipadiric acid 南京佰麦生物技术有限公司 2020-08-25 CN claimed
CN-111285760-A Synthesis method and intermediate of pipadiric acid 南京佰麦生物技术有限公司 2020-06-16 CN claimed
US-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-08-07 US disclosed
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
CN-116120163-B Synthesis method of bevacizidine acid and intermediate thereof 安徽艾立德制药有限公司 2024-05-28 CN disclosed
WO-2024054851-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
CN-117659023-A Pyridine acetamide derivative, pharmaceutical composition containing same and medical application of pyridine acetamide derivative 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed
CN-117659022-A Ureido substituted pyridine compound, pharmaceutical composition containing ureido substituted pyridine compound and medical application of ureido substituted pyridine compound 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed
CN-117623923-A Synthesis method of bevacizidine acid intermediate compound 安徽艾立德制药有限公司 2024-03-01 CN disclosed
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
US-4099015-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4086258-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-25 US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 US disclosed