SCHEMBL1399779

SCHEMBL1399779

O=C(O)C1CC=CCO1

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
SCHEMBL3616997 1.00
SCHEMBL4281277 0.81
SCHEMBL7973621 0.79
SCHEMBL5973058 0.77
SCHEMBL21122388 0.74 POLB (0.30)
SCHEMBL5699527 0.70 ALDH1A1 (0.37)
SCHEMBL5699504 0.70 ALDH1A1 (0.37)
SCHEMBL20789205 0.70
SCHEMBL3098668 0.68
SCHEMBL5699490 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816945-B Flavonol derivative and preparation method thereof 南通大学 2022-10-25 CN claimed
EP-1341927-B1 METHOD OF PREPARING 3-¬2-{(METHYLSULFONYL)OXY}ETHOXY|-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG IND OHIO INC (US) 2006-08-02 EP claimed
EP-1341927-A1 METHOD OF PREPARING 3- 2- (METHYLSULFONYL)OXY ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG Industries Ohio, Inc. (US) 2003-09-10 EP claimed
WO-2002059342-A1 METHOD OF PREPARING 3-[2-{(METHYLSULFONYL)OXY}ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG INDUSTRIES OHIO, INC. (US) 2002-08-01 WO claimed
US-6300106-B1 FORMING S-ISOMER OR R-ISOMER OF (3,6-DIHYDRO-2H-PYRAN-2-YL)-METHANOL VIA A PROCESS WHICH PRODUCES A RACEMIC MIXTURE OF INTERMEDIATE REACTION PRODUCTS, RESOLVING TO SELECTIVELY PRODUCE S ISOMER PPG INDUSTRIES OHIO, INC. 2001-10-09 US claimed
JP-1275574-A None JP disclosed
US-20250263418-A1 MODULATORS OF TNF ALPHA ACTIVITY AND USES THEREOF RAYTHERA, INC. 2025-08-21 US disclosed
US-20250136591-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2025-05-01 US disclosed
CN-119630670-A Modulators of TNFalpha activity and uses thereof 瑞雷拉公司 2025-03-14 CN disclosed
CN-114514023-B Methods of treating pancreatic cancer using RAD51 inhibitors 赛泰尔治疗公司 2025-01-14 CN disclosed
US-12064419-B2 Methods of using RAD51 inhibitors for treatment of pancreatic cancer CYTEIR THERAPEUTICS, INC. (US) 2024-08-20 US disclosed
US-20230406843-A1 Progranulin Modulators and Methods of Using the Same JANSSEN PHARMACEUTICA NV (BE) 2023-12-21 US disclosed
US-6300106-B1 FORMING S-ISOMER OR R-ISOMER OF (3,6-DIHYDRO-2H-PYRAN-2-YL)-METHANOL VIA A PROCESS WHICH PRODUCES A RACEMIC MIXTURE OF INTERMEDIATE REACTION PRODUCTS, RESOLVING TO SELECTIVELY PRODUCE S ISOMER PPG INDUSTRIES OHIO, INC. 2001-10-09 US disclosed
US-5804158-A INTRODUCING TRACEABLE METAL TO A SOLUTION CONTAINING LIGAND-IMAGING AGENT COMPLEX TO FORM LABELLED SOLUTION, ADMINISTERING FORMED LABELLED SOLUTION IN VIVO, DETECTING LOCALIZATION OF TRACEABLE METAL RESOLUTION PHARMACEUTICALS INC. (CA) 1998-09-08 US disclosed
US-5789555-A COMPLEXING RESOLUTION PHARMACEUTICALS INC. (CA) 1998-08-04 US disclosed
EP-0828521-A1 SEQUESTERED IMAGING AGENTS RESOLUTION PHARMACEUTICALS INC. (CA) 1998-03-18 EP disclosed
WO-1996038185-A1 SEQUESTERED IMAGING AGENTS RESOLUTION PHARMACEUTICALS INC. (CA) 1996-12-05 WO disclosed
EP-0730472-A1 IMMOBILIZED LABELLING METHOD RESOLUTION PHARMACEUTICALS INC. (CA) 1996-09-11 EP disclosed
WO-1995013832-A1 IMMOBILIZED LABELLING METHOD RESOLUTION PHARMACEUTICALS INC. (CA) 1995-05-26 WO disclosed
JP-H01275574-A SUBSTITUTED DIHYDROPYRANCARBOXYLIC ACID DERIVATIVE, PRODUCTION THEREOF AND AGRICULTURAL AND HORTICULTURAL GERMICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1989-11-06 JP disclosed