SCHEMBL998407

SCHEMBL998407

CC(C)OB(OC(C)C)C(C)C

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
Potassium SCHEMBL30607080 0.72
SCHEMBL6358676 0.72 ALDH1A1 (0.31)
SCHEMBL4268732 0.69
SCHEMBL17598891 0.67
SCHEMBL3261343 0.67
SCHEMBL38188 0.67
SCHEMBL28482209 0.65
SCHEMBL10535002 0.64
Ammonia Solution, Strong SCHEMBL10617791 0.64
SCHEMBL5498046 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010009029-A2 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 WO claimed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 US claimed
US-20240083904-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2024-03-14 US disclosed
WO-2023220180-A1 METHODS OF MANUFACTURING PYRIDAZINONE COMPOUNDS EDGEWISE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-4259629-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-10-18 EP disclosed
EP-3670513-B1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2023-09-20 EP disclosed
US-11731962-B2 LpxC inhibitor and methods of making BLACKSMITH MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2023078464-A1 EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海弼领生物技术有限公司 2023-05-11 WO disclosed
CN-113999166-B Synthesis method of tinib bulin 山东汇海医药化工有限公司 2023-03-31 CN disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 EP disclosed
US-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore MERCK FROSST CANADA LTD. (CA) 2002-06-27 US disclosed
EP-1206449-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-22 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001081312-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE MERCK FROSST CANADA & CO. (CA) 2001-11-01 WO disclosed
WO-2001007407-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-02-01 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-4870177-A PYROLYSIS OF LITHIUM ORGANYLBORATES ALDRICH-BORANES, INC. (US) 1989-09-26 US disclosed
US-4855506-A Process for lithium mono- and diorganylborohydrides ALDRICH-BORANES, INC. (US) 1989-08-08 US disclosed
US-4772751-A EASILY SEPARATED FROM BY-PRODUCTS ALDRICH-BORANES, INC. (US) 1988-09-20 US disclosed