SCHEMBL3186170

SCHEMBL3186170

[O]C1([O])CCCC1

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
SCHEMBL122500 0.95
SCHEMBL7675497 0.64
SCHEMBL5416293 0.64 ALDH1A1 (0.33)
SCHEMBL14875525 0.64
SCHEMBL2277536 0.64
SCHEMBL581765 0.64
SCHEMBL4896655 0.64
SCHEMBL7090382 0.61
SCHEMBL17556456 0.61
SCHEMBL2285696 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-114716453-A Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B 卫材R&D管理有限公司 2022-07-08 CN 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-3689881-B1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MAN CO LTD (JP) 2022-01-12 EP disclosed
US-11136335-B2 Prins reaction and intermediates useful in the synthesis of halichondrin macrolides and analogs thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-10-05 US disclosed
US-20210188867-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-24 US disclosed
US-10981929-B2 2021-04-20 US disclosed
US-9783549-B2 Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-10 US disclosed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
WO-2016179607-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF HALICHONDRIN MACROLIDES EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 WO disclosed
US-20160264594-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-15 US disclosed
EP-3066102-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B Eisai R&D Management Co., Ltd. (JP) 2016-09-14 EP disclosed
EP-3064489-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF Ube Industries, Ltd. (JP) 2016-09-07 EP disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
WO-2015066729-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-07 WO disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed