SCHEMBL3034722

SCHEMBL3034722

O=[C]NCC(O)CO

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
SCHEMBL3859635 1.00
SCHEMBL28286510 0.80
SCHEMBL9285806 0.77 LMNA (0.35)
SCHEMBL6855478 0.77
SCHEMBL5878370 0.77
SCHEMBL13517899 0.76
SCHEMBL26187705 0.74
SCHEMBL7510575 0.73 KDM4E (0.52)
SCHEMBL6319135 0.72
SCHEMBL3853942 0.72

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
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US claimed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP claimed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US claimed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP claimed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US claimed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO claimed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO claimed
EP-0828705-A1 IODINATION PROCESS NYCOMED IMAGING AS (NO) 1998-03-18 EP claimed
WO-1996037461-A1 IODINATION PROCESS NYCOMED IMAGING A.S (NO) 1996-11-28 WO claimed
US-5073362-A DICARBOXYLIC ACID-BIS(3,5-DICARBAMOYL-2,4,6-TRIIODOANILIDES) AND X-RAY CONTRAST MEDIA CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-17 US claimed
CN-107921075-A For treating the parvovirus preparation of tumour 德国癌症研究中心 2018-04-17 CN disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-0176032-B1 TETRALIN DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1990-03-07 EP disclosed
US-4760174-A Tetralin derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed
EP-0176032-A2 Tetralin derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
US-4314055-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1982-02-02 US disclosed
US-4307072-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1981-12-22 US disclosed