SCHEMBL2050459

SCHEMBL2050459

[O]C([O])c1ccccc1

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
SCHEMBL4276631 0.79 CES2 (0.50)
SCHEMBL41570 0.79 CES2 (0.50)
SCHEMBL810985 0.76
SCHEMBL8845699 0.74 CES2 (0.41)
SCHEMBL2312133 0.73
SCHEMBL2044327 0.73
SCHEMBL7527333 0.73
SCHEMBL2651481 0.73
SCHEMBL1038340 0.73
SCHEMBL420435 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117860770-A Application of 2-fluoroketolide compound in preparation of anti-coronavirus drugs 中国医学科学院医药生物技术研究所 2024-04-12 CN claimed
EP-0850948-B1 Propiophenone derivatives and process for preparing the same TANABE SEIYAKU CO (JP) 2002-04-24 EP claimed
US-6048842-A ANTIDIABETIC AGENT TANABE SEIYAKU CO., LTD. (JP) 2000-04-11 US claimed
EP-0850948-A1 Propiophenone derivatives and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-07-01 EP claimed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP claimed
US-4221787-A Esteramide prodrugs of anti-inflammatory corticosteroids INTERX RESEARCH CORPORATION (US) 1980-09-09 US claimed
CN-114380874-B Macrolide antibiotics, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-21 CN disclosed
CN-117860770-A Application of 2-fluoroketolide compound in preparation of anti-coronavirus drugs 中国医学科学院医药生物技术研究所 2024-04-12 CN disclosed
EP-3737673-B1 PROCESS FOR PREPARING HALICHONDRIN MACROLIDES AND ANALOGS THEREOF BY A PRINS REACTION, AND INTERMEDIATES OF THIS PROCESS EISAI R&D MAN CO LTD (JP) 2024-03-06 EP disclosed
US-20230151022-A1 PRINS REACTION AND COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN MACROLIDES AND ANALOGS THEREOF EISAI R&D MANAGEMENT CO, LTD. (JP) 2023-05-18 US disclosed
US-11643418-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-05-09 US disclosed
US-11542269-B2 Prins reaction and compounds useful in the synthesis of halichondrin macrolides and analogs thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-03 US disclosed
CN-109942560-B Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B 卫材R&D管理有限公司 2022-06-17 CN disclosed
EP-0832898-A2 Substituted amino acid derivatives BAYER AG (DE) 1998-04-01 EP disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-4221787-A Esteramide prodrugs of anti-inflammatory corticosteroids INTERX RESEARCH CORPORATION (US) 1980-09-09 US disclosed
US-4192868-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1980-03-11 US disclosed
US-4177344-A FIBRINOLYTIC, ANTICOAGULANT CIBA-GEIGY CORPORATION (US) 1979-12-04 US disclosed
US-4049797-A 1-PHENOXY-2-HYDROXY-3-AMINO-PROPANE-SUGAR COMPOUND CIBA-GEIGY CORPORATION (US) 1977-09-20 US disclosed
US-3978041-A CARDIAC INSUFFICIENCY CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed